Month: November 2022

Identification and genotoxicity evaluation of potential impurities in rabeprazole sodium using in silico and in vitro analyses was written by Du, Yi;Wu, Yinnan;Liu, Yang;Meng, Changhong;Tan, Li;Cai, Tiantian;Wang, Yuxin;Lu, Yihong. And the article was included in Drug and Chemical Toxicology (1977) in 2022.Category: imidazoles-derivatives The following contents are mentioned in the article:

Rabeprazole sodium is a widely used drug for gastrointestinal disorders. Several anal. methods for identifying rabeprazole sodium and its impurities have been reported. However, the genotoxicity of rabeprazole sodium and its impurities is still unclear. Thus, it is necessary to develop anal. methods that can identify the structures of its impurities and evaluate their genotoxicity. Here, we used high-performance liquid chromatog.-quadrupole time-of-flight mass spectrometry for identifying the impurities in rabeprazole sodium enteric-coated tablets. Impurities in the samples were matched with synthesized impurities based on the exact mass and secondary mass spectrometry characteristics and then subjected to in silico anal. using the Derek and Sarah software, as well as in vitro genotoxicity evaluations. Our method successfully identified the impurities as 2-[[4-(3-methoxy propane)-3-methyl-N-oxido-2-pyridyl] Me sulfonyl]-1H-benzimidazole (impurity I), 2-[[4-(3-methoxy propane)-3-methyl-2-pyridyl]methyl sulfonyl]-benzimidazole (impurity II), 2-[[4-(3-methoxy propane)-3-methyl-2-pyridyl] methionyl]-1H-benzimidazole (impurity III), and 2-mercapto benzimidazole (impurity IV). In silico anal. predicted that impurity III demonstrated a structural alert; thus, this impurity was evaluated for in vitro genotoxicity using the Ames test and chromosomal aberration assay. Impurity III at concentrations of 7.5-30 Μg/mL had an aberration rate of over 5% with or without S-9 mix. Furthermore, impurity III at concentrations of 40-1000 Μg/plate significantly increased the number of mutagenic colonies with or without S-9 mix. These results indicated that impurity III should be regulated to the limit of 0.01%. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Category: imidazoles-derivatives).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Clinical study on modified Zuojin pills combined with routine western medicine for reflux esophagitis of liver and stomach depression-heat type was written by Chu, Yuan;Chen, Xiaofang;Xu, Huiming. And the article was included in Xin Zhongyi in 2021.Reference of 117976-90-6 The following contents are mentioned in the article:

Objective: To observe the clin. effect and safety of modified Zuojin pills combined with routine western medicine for reflux esophagitis (RE) of liver and stomach depression-heat type. Methods: A total of 80 cases of RE patients of liver and stomach depression-heat type were selected as the study subjects and divided into the observation group and the control group according to the random number table method, 40 cases in each group. The control group was treated with rabeprazole sodium enteric-coated capsule and mosapride citrate tablets, and the observation group was addnl. treated with modified Zuojin pills based on the treatment of the control group. After treatment for eight weeks, the clin. effects, the changes in levels of gastrointestinal hormones in serum and the safety in the two groups were compared. Results: The total effective rate was 95.00% in the observation group, higher than that of 70.00% in the control group (P<0.05). After treatment, the endoscopy scores and levels of vasoactive intestinal peptide (VIP) and somatostatin (SS) in serum in the two groups were decreased when compared with those before treatment (P<0.05), and the levels of gastrin (GAS) and motilin (MTL) in serum were increased (P<0.05). The endoscopy score and levels of VIP and SS in serum in the observation group were lower than those in the control group (P<0.05), and levels of GAS and MTL in serum were higher (P<0.05). There was no significant difference being found in the comparison of medication safety between the two groups (P>0.05). Conclusion: Modified Zuojin pills combined with routine western medicine is effective and safe in treating RE of liver and stomach depression-heat type. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Reference of 117976-90-6).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Reference of 117976-90-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Sequential Helicobacter pylori eradication therapy in Myanmar; a randomized clinical trial of efficacy and tolerability was written by Myint, Nan Phyu Sin Toe;Zaw, Thet Tun;Sain, Kyauk;Waiyan, Soe;Danta, Mark;Cooper, David;Aung, Ne Myo;Kyi, Mar Mar;Hanson, Josh. And the article was included in Journal of Gastroenterology and Hepatology in 2020.Quality Control of Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide The following contents are mentioned in the article:

There is little published research to examine the best approach to the management of Helicobacter pylori in Myanmar. This study aimed to determine the relative efficacy and tolerability of sequential eradication therapy compared to Myanmar’s current recommendation of a concomitant four drug regimen. Patients were screened for H. pylori using monoclonal Stool Antigen Testing (SAT). Those testing pos. were randomized 1:1 to receive receive Myanmar’s first-line regimen of 14 days of concomitant rabeprazole, clarithromycin, amoxycillin and tinidazole (140 pills, cost US₂3) or 10 days of sequential rabeprazole, clarithromycin, amoxycillin and tinidazole (60 pills, cost US₁0). Adherence and adverse effects were recorded, and the efficacy of the regimens assessed with repeat SAT. Of the 1011 patients screened for H. pylori infection, 313 (31%) tested pos. There was no statistical difference in the cure rates of the two regimens in either intention-to-treat: 128/157 (82%; 95% confidence interval (CI): 75-87%) receiving sequential therapy vs. 123/156 (79%; 95% CI: 72-85%) receiving concomitant therapy (P = 0.55) or per-protocol anal.: 125/131 (95%; 95% CI: 90-98) receiving sequential therapy vs. 121/130 (93%; 95% CI: 87-96) receiving concomitant therapy (P = 0.42). Side effects of therapy were reported in 54/157 (47%) patients taking sequential therapy compared with 62/156 (53%) taking concomitant therapy, but this difference did not reach statistical significance (P = 0.33). In this high-burden, resource-poor setting, less expensive sequential therapy was as effective and as well tolerated as the currently recommended concomitant four drug regimen for eradication of H. pylori. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Quality Control of Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Quality Control of Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Nine-year follow-up of patients with relapsed follicular lymphoma after nonmyeloablative allogeneic stem cell transplant and autologous transplant was written by Khouri, Issa F.;Milton, Denai R.;Gulbis, Alison M.;Jabbour, Elias J.;Nastoupil, Loretta;Ledesma, Celina;Anderlini, Paolo;Bashir, Qaiser;Daher, May;Im, Jin S.;Iyer, Swaminathan P.;Marin, David;Mehta, Rohtesh S.;Olson, Amanda L.;Popat, Uday R.;Qazilbash, Muzaffar;Saini, Neeraj;Samaniego, Felipe;Rondon, Gabriela;Medeiros, Jeffrey L.;Champlin, Richard E.. And the article was included in Clinical Cancer Research in 2021.Recommanded Product: 16506-27-7 The following contents are mentioned in the article:

To compare outcomes between patients with relapsed follicular lymphoma who received a nonmyeloablative allogeneic stem cell transplant (alloSCT) and those who received an autologous transplant (autoSCT). We evaluated 194 patients with follicular lymphoma who received an alloSCT (n = 98) or autoSCT (n = 96) at MD Anderson Cancer Center (Houston, TX). The transplant type used was based on donor availability and by Medicare reimbursement guidelines. Patients who received an alloSCT were enrolled in four consecutive trials in which they received Hudarabine1 cyclophosphamide (or bendamustine), and rituximab conditioning. autoSCT patients received R-BEAM (rituximab, carmustine, etoposide, cytarabine, and mclphalan). The median follow-up of survivors was 108 mo for the alloSCT group and 102 mo for the autoSCT group. Overall survival was significantly better for patients who received an alloSCT compared with those who received an autoSCT (62% vs. 46%; P = 0.048). Similarly, progression-free survival rates were 52% in patients who received an alloSCT and 31% in those who received an autoSCT (P < 0.001), and the 8-yr relapse rates were 11% and 43%, resp. (P < 0.0001). Only three patients in the alloSCT group relapsed beyond 3.5 years. In the alloSCT group, the rates for grade 2 to 4 acute graft-versushost disease (GVHD)1 grade 3 to 4 acute GVHD1 and extensive chronic GVHD were 22%, 9%, and 38%, resp. In the autoSCT group, the 8-yr incidence of secondary myelodysplasia was 11%. Nonrelapse mortality was similar between the two groups (15% vs. 11% at 8 years; P = 0.27). This study shows that alloSCT is curative and confers superior survival compared with autoSCT in patients with follicular lymphoma. This study involved multiple reactions and reactants, such as 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7Recommanded Product: 16506-27-7).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Recommanded Product: 16506-27-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Multicenter, Randomized, Placebo-controlled Trial to Evaluate the Efficacy and Safety of a Controlled-release, Once-daily UIC201609/UIC201610 Combination Therapy for Functional Dyspepsia: Preliminary Study. was written by Lee, Jung Won;Youn, Young Hoon;Choi, Suck Chei;Lee, Kwang Jae;Kim, Nayoung. And the article was included in The Korean journal of gastroenterology = Taehan Sohwagi Hakhoe chi in 2021.Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide The following contents are mentioned in the article:

Backgrounds/Aims: Functional dyspepsia is a disease involving a range of upper gastrointestinal symptoms derived from various pathophysiologies. Tablets containing a combination of rabeprazole and controlled-release (CR) mosapride were recently developed. To investigate a more effective treatment, this trial evaluated the efficacy and safety of UIC201609/UIC201610 as a preliminary study. Methods: A multicenter, double-blind, randomized study was performed on 30 subjects. UIC201609/UIC201610 (combination of rabeprazole and CR mosapride) was the case group, and the two control groups were rabeprazole 10 mg once a day and mosapride 15 mg CR tablet once a day. As a primary efficacy endpoint of the study, the changes in the total score of eight items of the Nepean Dyspepsia Index-Korean version were analyzed at 2 weeks and 4 weeks. The outcomes regarding safety were collected. Results: The total symptom score of Nepean Dyspepsia Index-Korean decreased in the rabeprazole single group (29.4±17.1), mosapride CR single group (33.4±15.6), and UIC201609/UIC201610 group (33.4±11.8) at 4 weeks without significant differences. On the other hand, the UIC201609/UIC201610 combination group showed more score reduction of pain in the upper abdomen, burning in the upper abdomen compared to each control group, but it did not reach statistical significance. No difference was found in safety analysis. Conclusions: UIC201609/UIC201610 once daily showed some improvement in epigastric pain and dyspepsia in patients with functional dyspepsia, but there was no significance. Further study based on the advanced clinical trial design will be needed to confirm the efficacy of UIC201609/UIC201610 combination therapy in the future. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Guidelines on the diagnosis and management of Waldenstrom macroglobulinaemia-A British Society for Haematology guideline was written by Pratt, Guy;El-Sharkawi, Dima;Kothari, Jaimal;D’Sa, Shirley;Auer, Rebecca;McCarthy, Helen;Krishna, Rajesh;Miles, Oliver;Kyriakou, Charalampia;Owen, Roger. And the article was included in British Journal of Haematology in 2022.Computed Properties of C16H21Cl2N3O2 The following contents are mentioned in the article:

A review. The objective of this guideline is to provide healthcare professionals with clear guidance on the management of patients with Waldenstrom macroglobulinemia. In individual patients, circumstances may dictate an alternative approach. This guideline was compiled according to the British Society for Haematol. (BSH) process at . Recommendations are based on a review of the literature using Medline, Pubmed, Embase, Central, Web of Science searches from beginning of 2013 (since the publication of the previous guidelines) up to Nov. 2021. The following search terms were used: Waldenstrom(‘s) macroglobulin(a)emia OR lymphoplasmacytic lymphoma, IgM(-related) neuropathy OR cold h(a)emagglutinin disease OR cold agglutinin disease OR cryoglobulin(a)emia AND (for group a only) cytogenetic OR mol. OR mutation OR MYD88 OR CXCR4, management OR treatment OR transfusion OR supportive care OR plasma exchange OR plasmapheresis OR chemotherapy OR bendamustine OR bortezomib OR ibrutinib OR fludarabine OR dexamethasone OR cyclophosphamide OR rituximab OR everolimus, bone marrow transplantation OR stem cell transplantation. The Grading of Recommendations Assessment, Development and Evaluation (GRADE) nomenclature was used to evaluate levels of evidence and to assess the strength of recommendations. The GRADE criteria can be found at . Review of the manuscript was performed by the British Society for Haematol. (BSH) Guidelines Committee Haemato-Oncol. Task Force, the BSH Guidelines Committee and the Haemato-Oncol. sounding board of BSH. It was also on the members section of the BSH website for comment. It has also been reviewed by UK Charity WMUK; these organisations do not necessarily approve or endorse the contents. This study involved multiple reactions and reactants, such as 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7Computed Properties of C16H21Cl2N3O2).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Computed Properties of C16H21Cl2N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Associations of proton pump inhibitors and hospitalization due to hyponatremia: A population-based case-control study was written by Falhammar, Henrik;Lindh, Jonatan D.;Calissendorff, Jan;Skov, Jakob;Nathanson, David;Mannheimer, Buster. And the article was included in European Journal of Internal Medicine in 2019.Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide The following contents are mentioned in the article:

Background: Small observational studies and case reports have indicated that proton pump inhibitors (PPIs) may cause hyponatremia. Whether there is a difference between the individual PPIs is yet unknown. Since PPIs are one of the most commonly prescribed groups of drugs, even a rare adverse reaction may have large implications. The objective was to study the association between PPIs and hospitalization due to hyponatremia. Methods: This register-based case-control study was based on the general Swedish population. Patients hospitalized with a principal diagnosis of hyponatremia (n = 14,359) were compared to matched controls (n = 57,383). The association between newly initiated (≤90 days) and ongoing PPI use was explored using multivariable logistic regression adjusting for concomitant drugs, medical conditions, previous hospitalizations and socioeconomic factors. Results: Adjusted ORs (95%CI) for hospitalization due to hyponatremia, compared to controls, were for newly initiated: omeprazole 2.67 (2.37-3.01); pantoprazole 2.06 (1.32-3.19); lansoprazole 1.19 (0.72-1.94); esomeprazole 2.89 (2.21-3.79) and any PPI 2.78 (2.48-3.11). Only one individual had been newly initiated on rabeprazole and had been hospitalized due to hyponatremia. Adjusted ORs (95%CI) for individuals with ongoing treatment were for: omeprazole 1.04 (0.97-1.11); pantoprazole 0.81 (0.62-1.05); lansoprazole 0.90 (0.70-1.15); rabeprazole 3.34 (0.84-11.43); esomeprazole 1.12 (0.94-1.33) and any PPI 1.04 (0.98-1.11). Conclusions: With the exception of lansoprazole, this study suggests an association between any newly initiated PPI-treatment and hospitalization due to hyponatremia. Ongoing PPI use was not associated with an increased risk. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Recommanded Product: Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Design, development and optimization of orodispersible tablets of rabeprazole sodium by direct compression method using different concentrations of synthetic super-disintegrants was written by Bhatti, Musharraf Abbas;Afzal, Muhammad;Bhatti, Muhammad Abbas;Tariq, Fatima. And the article was included in World Journal of Pharmacy and Pharmaceutical Sciences in 2020.Formula: C18H20N3NaO3S The following contents are mentioned in the article:

Improved bioavailability, rapid onset of action due to rapid systemic absorption and enhanced patient compliance in patients suffering from certain diseases such as peptic/duodenal ulcer, gastro-esophageal reflux disease, ulcers induced by NSAIDs or Zollinger-Ellison syndrome has increased the demand of orodispersible tablets. In the present study, orordispersible tablets of Rabeprazole sodium has been prepared by using direct compression method, in which different concentration of synthetic super-disintegrants such as croscarmellose sodium, crospovidone and sodium starch glycolate ranging from 2% to 7% has been used to formulate such dosage form with rapid disintegration and improved dissolution in order to increase bioavailability. In this study, nine formulations has been prepared and evaluated by different physicochem. parameters such as pre-formulation studies such as compatibility studies by using Fourier transform Infraredspectroscopy, Differential scanning calorimetry anal., thermo-gravimetric anal. were used to determine degree of crystallinity of the drug, pre-compression evaluation of powder blend such as Angle of repose, Bulk d., Tapped d., Carr’s index and Hausner’s ratio were carried out to determine the flow properties. After the formulation of tablets, post-compression studies were carried out for the evaluation of orodispersible tablets including the evaluation of hardness, thickness, diameter, friability, weight variation, content niformity and stability studies. It is concluded that all the formulations have a disintegration time within official limits, but formulation T6 was an optimized dosage form having average disintegration time of 1.6 s that releases upto 102.15% drug in 15min. This study involved multiple reactions and reactants, such as Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6Formula: C18H20N3NaO3S).

Sodium 2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide (cas: 117976-90-6) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Formula: C18H20N3NaO3S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Identification of a Novel Theranostic Signature of Metabolic and Immune-Inflammatory Dysregulation in Myocardial Infarction, and the Potential Therapeutic Properties of Ovatodiolide, a Diterpenoid Derivative was written by Wu, Alexander T. H.;Lawal, Bashir;Tzeng, Yew-Min;Shih, Chun-Che;Shih, Chun-Ming. And the article was included in International Journal of Molecular Sciences in 2022.Synthetic Route of C16H21Cl2N3O2 The following contents are mentioned in the article:

Myocardial infarction (MI) is a multifactorial global disease, recognized as one of the leading causes of cardiovascular morbidity and mortality. Timely and correct diagnoses and effective treatments could significantly reduce incidence of complications and improve patient prognoses. In this study, seven unconventional differentially expressed genes (DEGs) (MAN2A2, TNFRSF12A, SPP1, CSNK1D, PLAUR, PFKFB3, and CXCL16, collectively termed the MTSCPPC signature) were identified through integrating DEGs from six MI microarray datasets. The pathol. and theranostic roles of the MTSCPPC signature in MI were subsequently analyzed. We evaluated interactions of the MTSCPPC signature with ovatodiolide, a bioactive compound isolated from Anisomeles indica (L.) Kuntze, using in silico mol. docking tools and compared it to specific inhibitors of the members of the MTSCPPC signature. Single-cell transcriptomic anal. of the public databases revealed high expression levels of the MTSCPPC signature in immune cells of adult human hearts during an MI event. The MTSCPPC signature was significantly associated with the cytokine-cytokine receptor interactions, chemokine signaling, immune and inflammatory responses, and metabolic dysregulation in MI. Anal. of a micro (mi)RNA regulatory network of the MTSCPPC signature suggested post-transcriptional activation and the roles of miRNAs in the pathol. of MI. Our mol. docking anal. suggested a higher potential for ovatodiolide to target MAN2A2, CSNK1D, and TNFRSF12A. Collectively, the results derived from the present study further advance our understanding of the complex regulatory mechanisms of MI and provide a potential MI theranostic signature with ovatodiolide as a therapeutic candidate. This study involved multiple reactions and reactants, such as 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7Synthetic Route of C16H21Cl2N3O2).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Synthetic Route of C16H21Cl2N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A quantum-chemical-based guide to analyze/quantify the cytotoxicity of ionic liquids was written by Torrecilla, J. S.;Palomar, J.;Lemus, J.;Rodriguez, F.. And the article was included in Green Chemistry in 2010.Quality Control of 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate The following contents are mentioned in the article:

A COSMO-RS descriptor (S_σ-profile) has been used in quant. structure-activity relationship studies (QSARs) based on a neural network for the prediction of the toxicol. effect of ionic liquids (ILs) on a leukemia rat cell line (Log EC₅₀ IPC-81) for a wide variety of compounds including imidazolium, pyridinium, ammonium, phosphonium, pyrrolidinium and quinolinium ILs. S_σ-profile is a two-dimensional quantum-chem. parameter capable of characterizing the electronic structure and mol. size of cations and anions. By using a COSMO-RS descriptor for a training set of 105 compounds (96 ILs and 9 closely related salts) with known biol. activities (exptl. Log EC₅₀ IPC-81 values), a reliable neural network was designed for the systematic anal. of the influence of structural IL elements (cation side chain, head group, anion type and the presence of functional groups) on the cytotoxicity of ∼450 IL compounds The Quant. Structure-Activity Map (QSAM), a new concept developed here, was proposed as a valuable tool for (i) the mol. understanding of IL toxicity, by relating Log EC₅₀ IPC-81 parameters to the electronic structure of compounds given by quantum-chem. calculations; and (ii) the sustainable design of IL products with low toxicity, by linking the chem. structure of counterions to the predictions of IL cytotoxicity in handy contour plots. As a principal contribution, quantum-chem.-based QSAM guides allow the anal./quantification of the non-linear mixture effects of the toxicophores constituting the IL structures. Based on these favorable results, the QSAR model was applied to estimate IL cytotoxicities in order to screen com. available compounds with comparatively low toxicities. This study involved multiple reactions and reactants, such as 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4Quality Control of 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate).

1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Quality Control of 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem