Category: 4857-06-1

Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Benzothiazolyl and Benzoxazoyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53》.Application of 4857-06-1 The article contains the following contents:

We identified a set of thiosemicarbazone (TSC) metal ion chelators that reactivate specific zinc-deficient p53 mutants using a mechanism called zinc metallochaperones (ZMCs) that restore zinc binding by shuttling zinc into cells. We defined biophys. and cellular assays necessary for structure-activity relationship studies using this mechanism. We investigated an alternative class of zinc scaffolds that differ from TSCs by substitution of the thiocarbamoyl moiety with benzothiazoyl, benzoxazoyl, and benzimidazoyl hydrazones. Members of this series bound zinc with similar affinity and functioned to reactivate mutant p53 comparable to the TSCs. Acute toxicity and efficacy assays in rodents demonstrated C1 to be significantly less toxic than the TSCs while demonstrating equivalent growth inhibition. We identified C85 as a ZMC with diminished copper binding that functions as a chemotherapy and radiation sensitizer. We conclude that the benzothiazoyl, benzoxazoyl, and benzimidazoyl hydrazones can function as ZMCs to reactivate mutant p53 in vitro and in vivo. The experimental part of the paper was very detailed, including the reaction process of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Application of 4857-06-1)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Application of 4857-06-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Journal of Molecular Structure included an article by Abdulazeez, Ismail; Khaled, Mazen; Al-Saadi, Abdulaziz A.. Quality Control of 2-Chloro-1H-benzo[d]imidazole. The article was titled 《Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study》. The information in the text is summarized as follows:

The role of substituents in the enhancement of corrosion inhibition effectiveness in some organic compounds has been the subject of several studies in recent years. Understanding the relationship between corrosion inhibition performance and electronic properties of the mol. shall facilitate the design of efficient inhibitors and reduce the burden of exptl. trials involved. In this study, quantum chem. calculations using d. functional theory (DFT) method were performed on benzimidazole and its derivatives involving various electron-withdrawing and electron-releasing substituents. Several reactivity indicators, such as frontier orbitals, energy gaps, electronegativity, electrophilicity and global hardness were calculated and correlated with available exptl. data. Frontier orbital energy gap predicted 2-nitrobenzimidazole to possess higher anti-corrosion properties, while electronegativity, electrophilicity and global hardness predicted 2-aminobenzimidazole to exhibit higher corrosion inhibition tendency. Results of mol. level interaction studies predicted that the adsorption of the mols. over the iron surface would take place preferentially through the nitrogen atoms of the imidazole ring and the carbon atoms of the benzene ring, resulting in the formation of Fe-N and Fe-C bonds with 2.00-2.40 Å bond distances which lie within the range of the chemisorption interaction. In the part of experimental materials, we found many familiar compounds, such as 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Quality Control of 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Quality Control of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jorg published an article in European Journal of Organic Chemistry. The title of the article was 《Redox-Active Dendrimer-Like Oligoguanidines and Their Use in a Proton-Coupled Electron Transfer Reaction》.Reference of 2-Chloro-1H-benzo[d]imidazole The author mentioned the following in the article:

Redox-active organic dendrimers are of interest for a variety of applications, e. g. as components in optoelectronic devices and energy-storage (battery) materials, and were also used to model enzymic reactivity. Here, we report the first synthesis of redox-active dendrimer-like oligoguanidines, assembling six or twelve guanidino groups attached to aromatic cores in one mol. The novel oligoguanidines, being strong electron donors, are characterized in their stable (neutral and dicationic) redox states. Redox processes occur preferentially at the core, while the periphery provides highly Broensted basic sites. The combined electron and proton acceptor properties of the mols. in their stable oxidized dicationic redox state motivate applications in proton-coupled electron transfer (PCET) processes. In this work, we test their application in a representative intramol. oxidative aryl-aryl coupling reaction. The experimental process involved the reaction of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Reference of 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Reference of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Shen, Hui; Ge, Yiran; Wang, Junwei; Li, Hui; Xu, Yungen; Zhu, Qihua published their research in Bioorganic & Medicinal Chemistry Letters in 2021. The article was titled 《Design, synthesis and biological evaluation of novel molecules as potent PARP-1 inhibitors》.Recommanded Product: 2-Chloro-1H-benzo[d]imidazole The article contains the following contents:

Two series of novel compounds with pthalazin-1(2H)-one moiety such as I [X = N, CH; Y = C(O), CH2; Z = N, CH; R = H, OMe, OEt; R1 = H, C(O)NH2] and 4-(4-fluoro-3-(1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazine-2-carbonyl)benzyl)phthalazin-1(2H)-one II [R = H, 7-Me, 7-F, 7-Cl] with inhibition activity against PARP-1 were designed and synthesized. All target compounds I and II were evaluated for their PARP-1 inhibition activity and compounds with high PARP-1 inhibition activity were selected to assess for cellular assays in vitro. Among the synthesized compounds compound II [R = 7-F] displayed impressive results in both PARP-1 enzyme inhibition with IC50 value of 0.51 nM and anti-proliferation activity against HCT116 and HCC1937 cell lines with IC50 values of 6.62 nM and 12.65 nM, resp. Also, compound II [R = 7-F] exhibited good metabolic stability in vitro with t1/2 of 173.25 min and CLint of 0.04 mL/min/mg.. Prediction of mol. properties and protein docking were applied to structure design. Prediction of mol. properties and protein docking of compound II [R = 7-F] were applied to structure design. This study provided potential lead compounds and designed the directions for the development of PARP-1 inhibitors. After reading the article, we found that the author used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Recommanded Product: 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Recommanded Product: 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2017,Jiang, Kun-Ming; Zhang, Jian-Qiang; Jin, Yi; Lin, Jun published 《1,3-Dipolar Cycloaddition of Imidazole Derivatives with Nitrile Oxide: Synthesis of Imidazo[1,2,4]oxadiazole Derivatives》.Asian Journal of Organic Chemistry published the findings.Name: 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

A concise and efficient synthesis of imidazo[1,2,4]oxadiazole derivatives I [R1 = Ph, 4-FC6H4, 4-MeOC6H4, etc.; R2 = H, 6,7-di-Me] that proceeded through the [3+2] cycloaddition of 2-chloro-1H-benzo[d]imidazole with nitrile oxides was developed. This strategy conveniently constructed tricyclic imidazole heterocyclic derivatives that contained a broad range of functional groups. Compound I [R1 = 4-ClC6H4; R2 = 6,7-di-Me] showed excellent cytotoxic activity against the KYSE410 cell line (IC50 = 0.26 μM). The compounds I were promising candidates for drug discovery. In the experimental materials used by the author, we found 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Name: 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Name: 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2017,Gund, Dnyandev Radhu; Tripathi, Alok Pramod; Vaidya, Sanjay Dashrath published 《Synthesis and antimicrobial activity of some novel N-substituted benzimidazoles》.European Journal of Chemistry published the findings.Name: 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

Synthesis of a series of new substituted benzimidazole derivatives by the condensation of o-phenylenediamine with urea to give 1,3-dihydro-benzimidazol-2-one which reacted with phosphoryl chloride to give 2-chloro-1H-benzimidazole is reported. The product was then alkylated at the benzimidazole NH with different electrophilic reagents leading to functionalized derivatives Structures of the newly synthesized products have been deduced on the basis of spectral and anal. data. The synthesized compounds were screened for their antimicrobial activity. This exhibited some promising results towards testing organism in-vitro. The results came from multiple reactions, including the reaction of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Name: 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Name: 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Barresi, Elisabetta; Giacomelli, Chiara; Daniele, Simona; Tonazzini, Ilaria; Robello, Marco; Salerno, Silvia; Piano, Ilaria; Cosimelli, Barbara; Greco, Giovanni; Da Settimo, Federico; Martini, Claudia; Trincavelli, Maria Letizia; Taliani, Sabrina published 《Novel fluorescent triazinobenzimidazole derivatives as probes for labeling human A1 and A2B adenosine receptor subtypes》.Bioorganic & Medicinal Chemistry published the findings.Quality Control of 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

The expression levels and the subcellular localization of adenosine receptors (ARs) are affected in several pathol. conditions as a consequence of changes in adenosine release and metabolism In this respect, labeled probes able to monitor the AR expression could be a useful tool to investigate different pathol. conditions. Herein, novel ligands for ARs, bearing the fluorescent 7-nitrobenzofurazan (NBD) group linked to the N1 (1,2) or N10 (3,4) nitrogen of a triazinobenzimidazole scaffold, were synthesized. The compounds were biol. evaluated as fluorescent probes for labeling A1 and A2B AR subtypes in bone marrow-derived mesenchymal stem cells (BM-MSCs) that express both receptor subtypes. The binding affinity of the synthesized compounds towards the different AR subtypes was determined The probe 3 revealed a higher affinity to A1 and A2B ARs, showing interesting spectroscopic properties, and it was selected as the most suitable candidate to label both AR subtypes in undifferentiated MSCs. Fluorescence confocal microscopy showed that compound 3 significantly labeled ARs on cell membranes and the fluorescence signal was decreased by the cell pre-incubation with the A1 AR and A2B AR selective agonists, R-PIA and BAY 60-6583, resp., thus confirming the specificity of the obtained signal. In conclusion, compound 3 could represent a useful tool to investigate the expression pattern of both A1 and A2B ARs in different pathol. and physiol. processes. Furthermore, these results provide an important basis for the design of new and more selective derivatives able to monitor the expression and localization of each different ARs in several tissues and living cells. In addition to this study using 2-Chloro-1H-benzo[d]imidazole, there are many other studies that have used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Quality Control of 2-Chloro-1H-benzo[d]imidazole) was used in this study.

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Quality Control of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Pharmacophore modelling of 2-chlorobenzimidazole and its specific docking to the active site c-Met Kinase: A search for potent c-Met Kinase inhibitor》 was published in Pharmaceutical and Chemical Journal in 2020. These research results belong to Otuokere, I. E.; Igwe, K. K.; Amaku, J. F.; Ikpeazu, O. V.. SDS of cas: 4857-06-1 The article mentions the following:

In this paper, we demonstrate how pharmacophore modeling was used to design the analogs of 2-chlorobenzimidazole and the application of mol. docking studies in the evaluation of the ligand affinity for the target. The lead mol. (1-benzyl-2-chloro-1H-benzimidazole) had the highest docking score of -8.0 kcal/mol and was observed to interact with 17 amino acids within the pocket of c-Met Kinase (ALA159, VAL39, TYR32, MET144, ASN142, ARG141, ALA154, ASP155, ALA49, LYS51, LEU90, TYR92, MET93, GLY32, ILE, ASP97 and GLY96). Meanwhile, the ADME characteristics of 1-benzyl-2-chloro-1H-benzimidazole showed approving properties of the lead mol. Hence, we recommend 1-benzyl-2-chloro-1H-benzimidazoleas promising candidates with high potential to inhibit c-Met Kinase.2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1SDS of cas: 4857-06-1) was used in this study.

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.SDS of cas: 4857-06-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Adel, Khiouani; Hachani, Salah Eddine; Selatnia, Ilhem; Nebbache, Nadia; Makhloufi, Sofiane published an article in Journal of the Indian Chemical Society. The title of the article was 《Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations》.Application of 4857-06-1 The author mentioned the following in the article:

The inhibitive action of three novel benzimidazole derivatives namely 2-(2-pyridyl)benzimidazole (B3), 2-bromo-1H-benzimidazole (B2), and 2-chlorobenzimidazole (B1) on mild steel corrosion was investigated using d. functional theory (DFT) approach and mol. dynamics simulations (MD). Global reactivity parameters such as the EHOMO, ELUMO, energy gap (ΔE), global softness (σ), electronegativity (χ), electrophilicity index (ω), global hardness (η) and the fraction of electron transferred from the inhibitor to mild steel surface (ΔN) were calculated and discussed with the help of 3-21 G, 6-31 G, 6-31G++ and 6-G++(d,p) methods. Fukui local reactivity indexes as well as the dual descriptors were calculated, and the obtained results indicates that all inhibitors mols. have several active sites for both electrophilic and nucleophilic attacks. The adsorption of the mols. under investigation on the Fe (110) surface was quantified using mol. dynamics simulation (MD). The obtained binding energy in both non-protonated and protonated from of the concerned benzimidazole derivatives increases as follows: B3 > B2 > B1, which emphasizes the order of the exptl. inhibition effectiveness of the mols. under probe. The formation of bonding and nonbonding interactions in systems of Fe-inhibitors was analyzed by pair correlation function. Our theor. outcomes were found to be well correlated to the exptl. findings earlier reported. In the part of experimental materials, we found many familiar compounds, such as 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Application of 4857-06-1)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Application of 4857-06-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity》 were Velagapudi, Uday Kiran; Langelier, Marie-France; Delgado-Martin, Cristina; Diolaiti, Morgan E.; Bakker, Sietske; Ashworth, Alan; Patel, Bhargav A.; Shao, Xuwei; Pascal, John M.; Talele, Tanaji T.. And the article was published in Journal of Medicinal Chemistry in 2019. Synthetic Route of C7H5ClN2 The author mentioned the following in the article:

Poly(ADP-ribose) polymerase (PARP) inhibitors are a class of anticancer drugs that block the catalytic activity of PARP proteins. Optimization of our lead compound 1 ((Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-7-carboxamide; PARP-1 IC50 = 434 nM) led to a tetrazolyl analog (51, IC50 = 35 nM) with improved inhibition. Isosteric replacement of the tetrazole ring with a carboxyl group (60, IC50 = 68 nM) gave a promising new lead, which was subsequently optimized to obtain analogs with potent PARP-1 IC50 values (4-197 nM). PARP enzyme profiling revealed that the majority of compounds are selective toward PARP-2 with IC50 values comparable to clin. inhibitors. X-ray crystal structures of the key inhibitors bound to PARP-1 illustrated the mode of interaction with analog appendages extending toward the PARP-1 adenosine-binding pocket. Compound 81, an isoform-selective PARP-1/-2 (IC50 = 30 nM/2 nM) inhibitor, demonstrated selective cytotoxic effect toward breast cancer gene 1 (BRCA1)-deficient cells compared to isogenic BRCA1-proficient cells. The results came from multiple reactions, including the reaction of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Synthetic Route of C7H5ClN2)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.Synthetic Route of C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem