Month: November 2022

Impact of rabeprazole sodium on pharmacokinetics of nimesulide in healthy volunteers: a prospective study from Pakistan was written by Munir, Iqra;Aslam, Bilal;Naseer, Rana Dawood;Mahmood, Asif;Saleem, Uzma;Sultana, Aisha;Muneer, Saiqa;Abrar, Muhammad Asad;Ashraf, Mudassar. And the article was included in Acta Poloniae Pharmaceutica in 2018.COA of Formula: C18H20N3NaO3S The following contents are mentioned in the article:

Nimesulide is mostly being prescribed along proton pump inhibitors such as rabeprazole sodium to reduce gastric irritation and damage. Therefore, present study was aimed to evaluate the effect of rabeprazole sodium on the pharmacokinetics of nimesulide in healthy adult male volunteers. Healthy volunteers (n = 30) participated in this study. After overnight fasting, blood samples (5 mL) were withdrawn at predetermined time intervals i.e. 0, 1, 1.5, 2, 2.5, 3, 4, 6, 8, 10, 12 h. After washout period of 15 days, Nimesulide was co-administered with rabeprazole sodium to the same volunteers and blood samples were taken again. Plasma concentration of nimesulide was determined by using HPLC technique. Pharmacokinetic parameters were determined by using pharmacokinetic software APO, MW/PHRAM version 3.02. Results showed that rabeprazole sodium increased the Cmax of nimesulide from 1.21 卤 0.27 mg/L to 1.79 卤 0.18 mg/L and AUC was increased from 12.96 卤 1.34 mg/L.h to 17.46 卤 1.54 mg/L.h. Clearance and Vd of nimesulide were decreased. Elevated plasma levels of nimsulide were observed due to enzymic inhibition effect of rabeprazole sodium. Impact of nimsulide on pharmacokinetics of rabeprazole was successfully determined The knowledge regarding drug – drug interaction would be beneficial for the researchers, health care professionals and patients. 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: 117976-90-6COA of Formula: 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 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. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.COA of Formula: C18H20N3NaO3S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reappraisal of the prognostic value of Epstein-Barr virus status in monomorphic post-transplantation lymphoproliferative disorders-diffuse large B-cell lymphoma was written by Kim, Jwa Hoon;Cho, Hyungwoo;Sung, Heungsup;Jung, Ah Ra;Lee, Yoon Sei;Lee, Sang-wook;Ryu, Jin-Sook;Chae, Eun Jin;Kim, Kyoung Won;Huh, Jooryung;Park, Chan-Sik;Yoon, Dok Hyun;Suh, Cheolwon. And the article was included in Scientific Reports in 2021.Category: imidazoles-derivatives The following contents are mentioned in the article:

Abstract: The role of the Epstein-Barr virus (EBV) status in the blood for predicting survival in post-transplantation lymphoproliferative disorders-diffuse large B-cell lymphoma (PTLD-DLBCL) is unknown. We evaluated the prognostic values of pre-treatment EBV-encoded small RNA (EBER) detected with in situ hybridization in tissues and EBV DNA in the whole blood (WB) and plasma in 58 patients with monomorphic PTLD-DLBCL after solid organ transplantation. There were no significant differences in the rates of overall response, complete response, and survival according to EBER EBV and WB EBV status. In contrast, patients with pos. plasma EBV DNA had significantly lower rates of overall response (60.0% vs. 94.4%, P = 0.043) and complete response (40.0% vs. 88.9%, P = 0.019) as well as worse progression-free survival (PFS) (P = 0.035) and overall survival (OS) (P = 0.039) compared with patients with neg. plasma EBV DNA. In multivariate anal., plasma EBV DNA positivity was a significantly unfavorable prognostic factor for PFS [hazard ratio (HR) 4.92, 95% confidence interval (CI) 1.22-19.86, P = 0.025] and OS (HR 4.48, 95% CI 1.14-17.63, P = 0.032). Despite small number of 6 patients with plasma EBV positivity, plasma EBV DNA positivity might be more prognostic for survival than EBER or WB EBV DNA positivity in patients with monomorphic PTLD-DLBCL. 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: 16506-27-7Category: imidazoles-derivatives).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a 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 characteristics of hospitalized patients with drug-induced acute kidney injury and associated risk factors: a case-control study was written by Yu, Chengxuan;Guo, Daihong;Yao, Chong;Yang, Hongyi;Liu, Siyuan;Zhu, Yu;Kong, Xianghao. And the article was included in BioMed Research International in 2020.SDS of cas: 117976-90-6 The following contents are mentioned in the article:

Drug-induced acute kidney injury (D-AKI) is increasingly common and can extend the hospital length of stay and increase mortality. This study is aimed at analyzing the clin. characteristics of hospitalized patients with D-AKI and the associated risk factors in a multidrug environment. A retrospective study among hospitalized patients was conducted in July 2019 based on the Adverse Drug Events Active Surveillance and Assessment System-2 developed by the authors. Four controls were matched with each case according to the matching criteria. The risk factors for D-AKI were identified by binary multivariate logistic regression. A total of 23,073 patients were hospitalized in July 2019, 21,131 of whom satisfied the inclusion criteria. The independent risk factors for D-AKI consisted of alc. abuse (odds ratio (OR), 2.05; 95% confidence interval (CI), 1.04-4.07), nonsteroidal anti-inflammatory drug (NSAID) use (OR, 2.39; 95% CI, 1.25-4.58), diuretic use (OR, 2.64; 95% CI, 1.42-4.92), prior anemia (OR, 4.10; 95% CI, 1.94-8.67), and prior chronic kidney disease (OR, 2.33; 95% CI, 1.07-5.08). The occurrence of D-AKI in hospitalized patients had significant associations with alc. abuse, combination therapy with NSAIDs or diuretics, and prior anemia or chronic kidney disease. Clinicians should meticulously follow patients with the above characteristics. 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: 117976-90-6SDS of cas: 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. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a 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.SDS of cas: 117976-90-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Bendamustine in combination with pomalidomide and dexamethasone in relapsed/refractory multiple myeloma: A phase II trial was written by Kumar, Sudhir;Sharma, Atul;Malik, Prabhat Singh;Gogia, Ajay;Pathak, Neha;Sahoo, Ranjit Kumar;Gupta, Ritu;Prasad, Chandra Prakash;Kumar, Lalit. And the article was included in British Journal of Haematology in 2022.Safety of 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid The following contents are mentioned in the article:

Treatment of patients with resistant/refractory multiple myeloma (MM) is an unmet need. In this phase II study, author evaluated the role of bendamustine, pomalidomide and dexamethasone combination in this setting. Between Feb. 2020 and Dec. 2021, 28 patients were recruited. Patients received bendamustine 120 mg/m²day 1, pomalidomide 3 mg days 1-21, and dexamethasone 40 mg days 1, 8, 11, 22, regimen given for a maximum of six cycles. The median (range) age of the patients was 54 (30-76) years and 15 (53.6%) were males. Patients had received a median (range) of three (two-six) prior lines and 85.7% were refractory to both lenalidomide and bortezomib. The primary end-point was the overall response rate (ORR) defined as 鈮artial response after at least three cycles. Secondary objectives were toxicity, progression-free survival (PFS), time to progression and overall survival (OS). An intent-to-treat anal. was done. An ORR of 57.6% was achieved. Patients with extramedullary myeloma had a better response rate. At a median follow-up of 8.6 mo, the median PFS and OS were 6.2 and 9.7 mo resp. Toxicity was manageable; mainly haematol. (neutropenia, 46.4%; anemia, 42.8%; and thrombocytopenia, 7.1%). Bendamustine, pomalidomide and dexamethasone could be a novel combination for the heavily pretreated, lenalidomide-refractory myeloma population. 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: 16506-27-7Safety of 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) 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 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.Safety of 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Bendamustine-EAM versus R-BEAM after high-dose cytarabine-based induction in newly diagnosed patients with mantle cell lymphoma, a LYSA retrospective study was written by Costes-Tertrais, Domitille;Hueso, Thomas;Gastinne, Thomas;Thieblemont, Catherine;Oberic, Lucie;Bouabdallah, Krimo;Garciaz, Sylvain;Tchernonog, Emmanuelle;Dartigeas, Caroline;Ribrag, Vincent;Fogarty, Patrick;Casasnovas, Rene-Olivier;Houot, Roch;Delette, Caroline;Malak, Sandra;Fornecker, Luc-Matthieu;Gressin, Remy;Damaj, Gandhi;Le Gouill, Steven. And the article was included in Bone Marrow Transplantation in 2022.Electric Literature of C16H21Cl2N3O2 The following contents are mentioned in the article:

Cytarabine-based immuno-chemotherapy followed by autologous stem cell transplantation (ASCT) consolidation is standard of care for fit patients with Mantle Cell Lymphoma (MCL). BEAM (Carmustine, Etoposide, Aracytine, Melphalan) is among the most frequently used conditioning regimen. Studies comparing BEAM with Bendamustine-EAM (BeEAM) have suggested that patients treated with BeEAM have a better progression-free survival (PFS). We performed a cross-study anal. to better evaluate BeEAM. Thirty-five patients from a retrospective study who received R-DHAP/BeEAM were compared to 245 patients from the LyMa trial (NCT00921414) who all received R-DHAP followed by R-BEAM. PFS and Overall Survival (OS) were estimated using Kaplan-Meier methods. At 2 years there was no difference between R-BEAM and BeEAM in either PFS (84.9% vs. 87.9%; p = 0.95) or OS (91.8% vs. 94.2%; p = 0.30). Analyses were repeated on a propensity score to reduce biases. Each patient from the BeEAM cohort (n = 30) was matched to three patients from the R-BEAM cohort (n = 90) for age, sex, MIPI score, pre-transplant status disease and rituximab maintenance (RM). PFS and OS at 2 years remained similar between R-BEAM and BeEAM with more renal toxicity in BeEAM group. MCL patients who received R-DHAP induction before ASCT have similar outcome after R-BEAM or BeEAM conditioning regimen. 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: 16506-27-7Electric Literature 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. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Electric Literature of C16H21Cl2N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

One-Step Conversion of Biomass-Derived Furanics into Aromatics by Bronsted Acid Ionic Liquids at Room Temperature was written by Ni, Lingli;Xin, Jiayu;Jiang, Kun;Chen, Lu;Yan, Dongxia;Lu, Xingmei;Zhang, Suojiang. And the article was included in ACS Sustainable Chemistry & Engineering in 2018.Product Details of 478935-29-4 The following contents are mentioned in the article:

Aromatics play essential and unique roles in the areas ranging from synthetic chem. to the manufacturing industry. Production of aromatics from biomass is of great fundamental interest and practical importance to ease the burden of fossil resources. This work delineates a one-step route for the synthesis of renewable aromatics from various biobased furanics and dienophiles by acidic ionic liquids at mild conditions. [Bmim]HSO₄ was used as a catalyst and solvent for the direct conversion of 2,5-dimethylfuran and acrylic acid into p-xylene and 2,5-dimethylbenzoic acid; up to 89% aromatic selectivity was achieved at 87% conversion of 2,5-dimethylfuran at room temperature and atm. pressure, and totally 84% selectivity of p-xylene can be obtained with a subsequent decarboxylation reaction. The reaction mechanism study supplemented with isotopic tracing and DFT calculations revealed the lowest-energy pathway for the two main products. Various starting materials were studied for further extensions of the method, and it turned out that electron-donating Me groups on the furan ring played crucial roles on the activation of dehydration and decarboxylation processes. This work provided convenient access to industrial commodity aromatics from fully biomass-derived feedstocks and thus can be regarded more economically and environmentally feasible. This study involved multiple reactions and reactants, such as 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4Product Details of 478935-29-4).

1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4) 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. 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. Product Details of 478935-29-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of 尾-enaminones in imidazolium ionic liquids was written by Yin, Wanxiang;Li, Runsheng;Yang, Jun. And the article was included in Huaxue Yanjiu Yu Yingyong in 2010.Computed Properties of C10H20N2O4S The following contents are mentioned in the article:

In this paper, a series of imidazolium ionic liquids with different anions and cations were prepared and the performance of these reaction medium for the synthesis of 尾-enaminones was investigated. The results showed that anion and cation had obvious effect on the performance of the ionic liquids; when anion was BF₄^–, the activity order of ionic liquids with different cations was [Hmim]⁺>[bmim]⁺, [emim]⁺ > [bmmim]⁺; among these reaction medium, [Hmim]BF₄ exhibited the highest activity and had a yield of 96% after 10 min reaction; when cation was [Hmim]⁺, ionic liquids with a anion of BF₄^–, Tsa^–, Br^– and NO₃^– exhibited high activity and had a yield higher than 93% after 15 min reaction, while ionic liquid with HSO₄^– had a yield of 60% after 30 min; when cation was [bmim]⁺, the activity order was [bmim]Br>[bmim]PF₆>[bmim]BF₄ and these three solvent/catalysts had a yield over 85%, while [bmim]HSO₄ and [bmim]H₂PO₄ ionic liquids presented a bad performance and had a yield below 70%. The [Hmim] BF₄ was reused five times without considerable loss of activity and had a yield of 89% after 10 min. This study involved multiple reactions and reactants, such as 1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4Computed Properties of C10H20N2O4S).

1-Hexyl-3-methyl-1H-imidazol-3-ium hydrogensulfate (cas: 478935-29-4) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Computed Properties of C10H20N2O4S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Low absolute lymphocyte count is a poor prognostic factor for untreated advanced follicular lymphoma treated with rituximab plus bendamustine: results of the prospective phase 2 CONVERT trial was written by Rai, Shinya;Inoue, Hiroaki;Hanamoto, Hitoshi;Matsuda, Mitsuhiro;Maeda, Yasuhiro;Wada, Yusuke;Haeno, Takahiro;Watatani, Yosaku;Kumode, Takahiro;Hirase, Chikara;Espinoza, J. Luis;Morita, Yasuyoshi;Tanaka, Hirokazu;Tatsumi, Yoichi;Matsumura, Itaru. And the article was included in International Journal of Hematology in 2021.Reference of 16506-27-7 The following contents are mentioned in the article:

The aim of this trial is to evaluate the utility of rituximab-bendamustine (R-B) for untreated advanced follicular lymphoma (FL) showing non-optimal response (nOR) to R-CHOP, and to identify clin. prognostic factors for FL patients receiving R-B. Patients who failed to achieve complete response/complete response unconfirmed (CR/CRu) [nOR-group] after 2 cycles of R-CHOP subsequently received 6 cycles of R-B. The primary endpoint was the 3-yr progression-free survival (PFS) rate. Secondary endpoints included determination of prognostic factors. Fifty-six patients initially received R-CHOP, 43/56 patients (76.8%) were judged as nOR, and 33/43 patients (76.7%) completed 6 cycles of R-B. At a median follow-up of 50.6 mo in the nOR-group, the 3-yr PFS rate was 69.0%, and the 3-yr overall survival (OS) rate was 92.7%. The most common toxicities associated with R-B were grade 3-4 lymphopenia (93.0%) and neutropenia (74.4%), both of which were manageable. A multivariate anal. including dose intensity, serum soluble interleukin-2 receptor, and FL international prognostic index-2 revealed low absolute lymphocyte count (< 869/螠L) at diagnosis was an independent poor prognostic factor for both PFS and OS in the R-B-treated nOR-group. This result was further confirmed in validation cohorts including R-B-treated de novo (n = 40) and relapsed (n = 49) FL patients. 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: 16506-27-7Reference of 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. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. 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. Reference of 16506-27-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

A phase 3, randomized study of ofatumumab combined with bendamustine in rituximab-refractory iNHL (COMPLEMENT A + B study) was written by Rummel, Mathias J.;Janssens, Ann;MacDonald, David;Keating, Mary-Margaret;Zaucha, Jan M.;Davis, Jaclyn;Lasher, Janet;Babanrao Pisal, Chaitali;Izquierdo, Miguel;Friedberg, Jonathan W.. And the article was included in British Journal of Haematology in 2021.Related Products of 16506-27-7 The following contents are mentioned in the article:

Summary : The standard of care for indolent non-Hodgkin lymphoma (iNHL) is rituximab, an anti-CD20 antibody, with/without chemotherapy. However, multiple relapses are common in these patients. This phase 3, randomized study compared outcomes of a combination of ofatumumab (a second-generation anti-CD20 antibody) and bendamustine, with bendamustine alone in patients unresponsive to prior rituximab-based treatment. Overall, 346 patients were randomized to receive either the combination or bendamustine alone. Bendamustine was given for 鈮? cycles and ofatumumab for 鈮?2 cycles. The primary end-point was progression-free survival (PFS) after 215 protocol-defined events assessed by independent review committee (IRC). Median IRC-assessed PFS was 16路7 and 13路8 mo in the combination and monotherapy arms resp. [hazard ratio (HR) = 0路82; P = 0路1390]. Median overall survival (OS) was 58路2 and 51路8 mo in the combination and monotherapy arms resp. (HR = 0路89, P = 0路4968). The safety profile was consistent with previous reports. Overall, 73% and 80% of patients in the combination and monotherapy arms, resp., experienced a 鈮rade 3 adverse event. The study did not meet its primary end-point. No significant improvement in PFS and OS was seen with the combination of ofatumumab and bendamustine as compared with bendamustine alone in rituximab-refractory iNHL (NCT01077518). 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: 16506-27-7Related Products of 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. 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.Related Products of 16506-27-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Identification of Novel Mutant (R132H) Isocitrate Dehydrogenase 1 Inhibitors for Glioma Therapy was written by Murali, Poornimaa;Karuppasamy, Ramanathan. And the article was included in Journal of Computational Biophysics and Chemistry in 2022.Name: 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid The following contents are mentioned in the article:

Neomorphic transformations in isocitrate dehydrogenase 1 (IDH1) are the key mutations prevalently found in various cancers including glioma. Recently identified mIDH1 specific inhibitors showed modest brain penetrating potential and dose-limiting toxicity. Herein, we elucidate virtual screening strategies to discover persuasive mIDH1 inhibitors from the approved subset of the DrugBank database consisting of 2715 mols. Initially, a structural similarity search identified a total of 1432 lead mols. The resultant compounds were inspected by mol. docking along with MM-GBSA and ADMET analyses. Altogether, the analyses identified Abemaciclib as the hit against mIDH1. Notably, abemaciclib was able to form hydrogen bond interaction with active site residues of mIDH1 protein. In the end, the dynamic behavior of the hit complex was also examined using mol. dynamics simulation studies. The outcome of the study culminates that the hit complex was stable throughout the simulation period of 100ns. It is worth noting that benzimidazole moiety of abemaciclib was reported to show inhibitory activity against glioma cells. Overall, these findings highlight that abemaciclib has the potential as a lead mol. against glioma. Indeed, the screened hit compound could be further explored for the development of mIDH1 inhibitor with great brain penetrating ability and low toxicity. 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: 16506-27-7Name: 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid).

4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid (cas: 16506-27-7) 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 has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Name: 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem