Month: November 2022

On October 15, 2008, Carlton, David L.; Collin-Smith, Lissa J.; Daniels, Alejandro J.; Deaton, David N.; Goetz, Aaron S.; Laudeman, Christopher P.; Littleton, Thomas R.; Musso, David L.; Morgan, Ronda J. Ott; Szewczyk, Jerzy R.; Zhang, Cunyu published an article.Electric Literature of 73590-85-9 The title of the article was Discovery of small molecule agonists for the bombesin receptor subtype 3 (BRS-3) based on an omeprazole lead. And the article contained the following:

Starting from a weak omeprazole screening hit, replacement of the pyridine with a 1,3-benzodioxole moiety, modification of the thioether linkage, and substitution of the benzimidazole pharmacophore led to the discovery of nanomolar BRS-3 agonists. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Electric Literature of 73590-85-9

The Article related to bombesin receptor brs3 agonist preparation structure activity, Pharmacology: Structure-Activity and other aspects.Electric Literature of 73590-85-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Tawari, Nilesh; Lele, Arundhati; Khambete, Mihir; Degani, Mariam published an article in 2014, the title of the article was Mutagenicity prediction for nitroaromatic compounds using qstr modeling.Category: imidazoles-derivatives And the article contains the following content:

Objective: Nitroarom. compounds are important industrial chems. widely used in the synthesis of many diverse products including drugs, dyes, polymers, pesticides and explosives. However, the mutagenicity associated with nitroarom. compounds is a toxicol. feature which poses great concern. On the other hand, there are successful examples of non-mutagenic nitroarom. mols.; indicating that safer nitroarom. compounds can be developed. In this light the aim of the present work was to predict the mutagenicity of nitroarom. compounds using an atom based QSTR model. Methods: An atom based QSTR model was developed using PHASE. In addition, mols. were studied by complete geometry optimization using DFT at B3LYP/3-21G* level of theory. Results: An atom based QSTR model was generated for prediction of mutagenicity of the compounds Conclusion: The visualization of different properties highlighted key inferences. These include the likelihood of mutagenicity for the mols. with more fused planar hydrophobic rings having hydrogen bond acceptor and electron donating substitutions. Also, all highly mutagenic compounds have two or more neg. potential regions. Specific electronic properties such as HOMO and LUMO indicate that most of the mutagenic mols. are very reactive in nature. The results of this study would be useful as a predictive tool to screen out mutagenic nitroarenes and design safer non-mutagenic nitro compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Category: imidazoles-derivatives

The Article related to nitroarom compound mutagenicity quant structure toxicity relationship modeling, Pharmacology: Structure-Activity and other aspects.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On February 15, 2012, Khan, K. M.; Shah, Zarbad; Ahmad, V. U.; Ambreen, N.; Khan, M.; Taha, M.; Rahim, F.; Noreen, S.; Perveen, S.; Choudhary, M. I.; Voelter, W. published an article.Quality Control of 2-Nitro-1H-benzo[d]imidazole The title of the article was 6-Nitrobenzimidazole derivatives: Potential phosphodiesterase inhibitors: Synthesis and structure-activity relationship. And the article contained the following:

6-Nitrobenzimidazole derivatives (1-30) synthesized and their phosphodiesterase inhibitory activities determined Out of thirty tested compounds, ten showed a varying degrees of phosphodiesterase inhibition with IC50 values between 1.5 ± 0.043 and 294.0 ± 16.7 μM. Compounds 30 (IC50 = 1.5 ± 0.043 μM), 1 (IC50 = 2.4 ± 0.049 μM), 11 (IC50 = 5.7 ± 0.113 μM), 13 (IC50 = 6.4 ± 0.148 μM), 14 (IC50 = 10.5 ± 0.51 μM), 9 (IC50 = 11.49 ± 0.08 μM), 3 (IC50 = 63.1 ± 1.48 μM), 10 (IC50 = 120.0 ± 4.47 μM), and 6 (IC50 = 153.2 ± 5.6 μM) showed excellent phosphodiesterase inhibitory activity, much superior to the standard EDTA (IC50 = 274 ± 0.007 μM), and thus are potential mols. for the development of a new class of phosphodiesterase inhibitors. A structure-activity relationship is evaluated. All compounds are characterized by spectroscopic parameters. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Quality Control of 2-Nitro-1H-benzo[d]imidazole

The Article related to nitrobenzimidazole derivative preparation structure phosphodiesterase inhibitor, Pharmacology: Structure-Activity and other aspects.Quality Control of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ajani, Haresh; Jansa, Josef; Kopruluoglu, Cemal; Hobza, Pavel; Krystof, Vladimir; Lycka, Antonin; Lepsik, Martin published an article in 2018, the title of the article was Imidazo[1,2-c]pyrimidin-5(6H)-one as a novel core of cyclin-dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical scoring.Related Products of 55662-66-3 And the article contains the following content:

We report on the synthesis, activity testing, docking, and quantum mech. scoring of novel imidazo[1,2-c]pyrimidin-5(6H)-one scaffold for cyclin-dependent kinase 2 (CDK2) inhibition. A series of 26 compounds substituted with aromatic moieties at position 8 has been tested in in vitro enzyme assays and shown to inhibit CDK2. 2D structure-activity relationships have ascertained that small substituents at position 8 (up to the size of naphtyl or methoxyphenyl) generally lead to single-digit micromolar IC50 values, whereas bigger substituents (substituted biphenyls) decreased the compounds’ activities. The binding modes of the compounds obtained using Glide docking have exhibited up to 2 hinge-region hydrogen bonds to CDK2 and differed in the orientation of the inhibitor core and the placement of the 8-substituents. Semiempirical quantum mechanics-based scoring identified probable favorable binding modes, which will serve for future structure-based design and synthetic optimization of substituents of the heterocyclic core. In summary, we have identified a novel core for CDK2 inhibition and will explore it further to increase the potencies of the compounds and also monitor selectivities against other protein kinases. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).Related Products of 55662-66-3

The Article related to cyclin dependent kinase 2 quantum mech scoring, binding mode, physics-based scoring, protein-ligand binding, Pharmacology: Structure-Activity and other aspects.Related Products of 55662-66-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On December 27, 2018, Davoren, Jennifer E.; Nason, Deane; Coe, Jotham; Dlugolenski, Keith; Helal, Christopher; Harris, Anthony R.; LaChapelle, Erik; Liang, Sidney; Liu, Yue; OConnor, Rebecca; Orozco, Christine C.; Rai, Brajesh K.; Salafia, Michelle; Samas, Brian; Xu, Wenjian; Kozak, Rouba; Gray, David published an article.Recommanded Product: 5-Bromo-6-methylimidazo[1,2-a]pyridine The title of the article was Discovery and Lead Optimization of Atropisomer D1 Agonists with Reduced Desensitization. And the article contained the following:

The discovery of D1 subtype-selective agonists with drug-like properties has been an enduring challenge for the greater part of 40 years. All known D1-selective agonists are catecholamines that bring about receptor desensitization and undergo rapid metabolism, thus limiting their utility as a therapeutic for chronic illness such as schizophrenia and Parkinson’s disease. Our high-throughput screening efforts on D1 yielded a single non-catecholamine hit PF-4211 (6) that was developed into a series of potent D1 receptor agonist leads with high oral bioavailability and CNS penetration. An important structural feature of this series is the locked biaryl ring system resulting in atropisomerism. Disclosed herein is a summary of our hit-to-lead efforts on this series of D1 activators culminating in the discovery of atropisomer 31 (PF-06256142), a potent and selective orthosteric agonist of the D1 receptor that has reduced receptor desensitization relative to dopamine and other catechol-containing agonists. The experimental process involved the reaction of 5-Bromo-6-methylimidazo[1,2-a]pyridine(cas: 1346157-13-8).Recommanded Product: 5-Bromo-6-methylimidazo[1,2-a]pyridine

The Article related to preparation atropisomer dopamine d1 agonist receptor desensitization, schizophrenia parkinson’s dopamine d1 agonist structure, Pharmacology: Structure-Activity and other aspects.Recommanded Product: 5-Bromo-6-methylimidazo[1,2-a]pyridine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 15, 2020, Kundu, Biswajit; Sarkar, Dipayan; Chowdhuri, Srijita Paul; Pal, Sourav; Das, Subhendu K.; Das, Benu Brata; Talukdar, Arindam published an article.Product Details of 5036-48-6 The title of the article was Development of a metabolically stable topoisomerase I poison as anticancer agent. And the article contained the following:

We have recently reported a new chemotype of a potent topoisomerase I poison with compound 1 as a potential anticancer chemotherapeutic agent. During further optimization, it has been observed that compound 1 suffers from high intrinsic clearance in human liver microsomes. To overcome the metabolic instability of compound 1, we report design and synthesis of metabolically stable Top1 poison 3. Newly identified Top1 poison 3 exhibits t1/2 of 69.1 min in human liver microsomes in comparison to compound 1 with t1/2 of 9.9 min. Mol. dynamic study of the newly optimized Top1 poison 3 was performed to get the insight into the stability of the binding pose in the active site. Compound 3 was able to trap DNA-Top1 cleavage complex and found to be less cytotoxic in non-cancerous cell line as compared to compound 1. The experimental process involved the reaction of N-(3-Aminopropyl)-imidazole(cas: 5036-48-6).Product Details of 5036-48-6

The Article related to preparation stable topoisomerase i inhibitor cancer, camptothecin, in vitro pharmacokinetics, metabolic stability, molecular dynamics, poison, topoisomerase 1, Pharmacology: Structure-Activity and other aspects.Product Details of 5036-48-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Maggiali, C. A.; Mingiardi, M. R.; Morini, G.; Ronchini, F.; Mossini, F. published an article in 1982, the title of the article was Biological properties of imidazopyrimidines.COA of Formula: C6H5N3O And the article contains the following content:

Fifteen imidazo[1,2-a]pyrimidine derivatives I (R = OH, Cl, alkylamino, etc.; R1 = H or Cl) and 7 imidazo[1,2-c]pyrimidine derivatives II (R and R1 = as above) were prepared and tested for herbicidal activity against Sorghum vulgare, Hordeum hexastichum, and Pisum sativum. II (R = R1 = Cl) [85989-61-3] was the most active. I (R = R1 = Cl) [57473-32-2] was very active against S. vulgare and H. hexastichum, and moderately phytotoxic to P. sativum. Structure-activity relations are discussed. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).COA of Formula: C6H5N3O

The Article related to imidazopyrimidine herbicide, Agrochemical Bioregulators: Plant and other aspects.COA of Formula: C6H5N3O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On August 5, 1997, Wang, Ge; Rahman, M. Sayeedur; Humayun, M. Zafri published an article.Name: Imidazo[1,2-c]pyrimidin-5(6H)-one The title of the article was Replication of M13 Single-Stranded Viral DNA Bearing Single Site-Specific Adducts by Escherichia coli Cell Extracts: Differential Efficiency of Translesion DNA Synthesis for SOS-Dependent and SOS-Independent Lesions. And the article contained the following:

To characterize mutagenic translesion DNA synthesis in UVM-induced Escherichia coli, we have developed a high-resolution DNA replication system based on E. coli cell extracts and M13 genomic DNA templates bearing mutagenic lesions. The assay is based on the conversion of M13 viral single-stranded DNA (ssDNA) bearing a single site-specific DNA lesion to the double-stranded replicative form (RF) DNA, and permits one to quant. measure the efficiency of translesion synthesis. DNA replication is most strongly inhibited by an abasic site, a classic SOS-dependent noninstructive lesion. In contrast, the efficiency of translesion synthesis across SOS-independent lesions such as O6-methylguanine and DNA uracil is around 90%, very close to the values obtained for control DNA templates. The efficiency of translesion synthesis across 3,N4-ethenocytosine and 1,N6-ethenoadenine is around 20%, a value that is similar to the in vivo efficiency deduced from the effect of the lesions on the survival of transfected M13 ssDNA. Neither DNA polymerase I nor polymerase II appears to be required for the observed translesion DNA synthesis because essentially similar results are obtained with extracts from polA- or polB-defective cells. The close parallels in the efficiency of translesion DNA synthesis in vitro and in vivo for the five site-specific lesions included in this study suggest that the assay may be suitable for modeling mutagenesis in an accessible in vitro environment. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).Name: Imidazo[1,2-c]pyrimidin-5(6H)-one

The Article related to dna replication system development escherichia, Biochemical Methods: Immunological and other aspects.Name: Imidazo[1,2-c]pyrimidin-5(6H)-one

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 1, 2001, Privezentzev, C. V.; Saparbaev, M.; Laval, J. published an article.Name: Imidazo[1,2-c]pyrimidin-5(6H)-one The title of the article was The HAP1 protein stimulates the turnover of human mismatch-specific thymine-DNA-glycosylase to process 3,N4-ethenocytosine residues. And the article contained the following:

When present in DNA, 3,N4-ethenocytosine (εC) residues are potentially mutagenic and carcinogenic in vivo. The enzymic activity responsible for the repair of the εC residues in human cells is the hTDG protein, the human thymine-DNA-glycosylase that removes thymine in a T/G base pair [Proc. Natl. Acad. Sci., U.S.A., 95 (1998) 8508]. One of the distinctive properties of the hTDG protein is that it remains tightly bound to the AP-site resulting from its glycosylase activity. In this paper we report that the human AP endonuclease, the HAP1 (Ape1, APEX Ref-1) protein, stimulates the processing of εC residues by the hTDG protein in vitro, in a dose-dependent manner. This property of HAP1 protein is specific since E.coli Fpg, Nfo and Nth proteins, all endowed with an AP nicking activity, do not show similar features. The results suggest that the HAP1 protein displaces the hTDG protein bound to the AP-site and therefore increases the turnover of the hTDG protein. However, using a variety of techniques including gel retardation assay, surface plasmon resonance and two-hybrid system, it was not possible to detect evidence for a complex including the substrate, the hTDG and HAP1 proteins. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).Name: Imidazo[1,2-c]pyrimidin-5(6H)-one

The Article related to hap1 ap endonuclease ethenocytosine dna excision repair, thymine dna glycosylase ref1 endonuclease ethenocytosine mutagen, Mammalian Biochemistry: Metabolism and other aspects.Name: Imidazo[1,2-c]pyrimidin-5(6H)-one

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On February 28, 1991, Debnath, Asim Kumar; Lopez de Compadre, Rosa L.; Debnath, Gargi; Shusterman, Alan J.; Hansch, Corwin published an article.Product Details of 5709-67-1 The title of the article was Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity. And the article contained the following:

A survey of the literature yielded data on over 200 aromatic and heteroaromatic nitro compounds tested for mutagenicity in the Ames test using S. typhimurium TA98. From the data, a QSAR has been derived for 188 congeners. The main determinants of mutagenicity are the hydrophobicity (modeled by octanol/water partition coefficients) and the energies of the lowest unoccupied mol. orbitals calculated using the AM1 method. It is also shown that chems. possessing three or more fused rings possess much greater mutagenic potency than compounds with one or two fused rings. Since the QSAR is based on a very wide range in structural variation (aromatic rings from benzene to coronene are included as well as many different types of heterocycles), it is a significant step toward a predictive toxicol., with value in the design of less mutagenic bioactive compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Product Details of 5709-67-1

The Article related to mutagenicity qsar aromatic heteroaromatic nitro compound, hydrophobicity nitro compound mutagenicity, lumo nitro compound mutagenicity, Physical Organic Chemistry: General and other aspects.Product Details of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem