Tag: M.W=150-200

Li, Rong published the artcileDesign, Synthesis, and Biological Evaluation of New 1H-Imidazole-2-Carboxylic Acid Derivatives as Metallo-β-Lactamase Inhibitors, Product Details of C9H8N2O2, the main research area is imidazole carboxylic acid derivative metallo beta lactamase inhibitor; Antibiotic resistance; Metal-binding pharmacophore; Metallo-β-lactamase; Structure-activity relationship; VIM.

As one of important mechanisms to beta-lactam antimicrobial resistance, metallo-β-lactamases (MBLs) have been receiving increasing worldwide attentions. Ambler subclass B1 MBLs are most clin. relevant, because they can hydrolyze almost all beta-lactams with the exception of monobactams. However, it is still lacking of clin. useful drugs to combat MBL-medicated resistance. We previously identified 1H-imidazole-2-carboxylic acid as a core metal-binding pharmacophore (MBP) to target multiple B1 MBLs. Herein, we report structural optimization of 1H-imidazole-2-carboxylic acid and substituents. Structure-activity relationship (SAR) analyses revealed that replacement of 1H-imidazole-2-carboxylic acid with other structurally highly similar MBPs excepting thiazole-4-carboxylic acid resulted in decreased MBL inhibition. Further SAR studies identified more potent inhibitors to MBLs, of which 28 manifested IC50 values of 0.018 μM for both VIM-2 and VIM-5. The microbiol. tests demonstrated that the most tested compounds showed improved synergistic effects; some compounds at 1 μg/mL were able to reduce meropenem MIC by at least 16-fold, which will be worth further development of new potent inhibitors particularly targeting VIM-type MBLs.

Bioorganic & Medicinal Chemistry published new progress about Antimicrobial agent resistance. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Product Details of C9H8N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Karapanayiotis, Thanasis published the artcileDifferentiation of ionized benzimidazole from its isomeric α-distonic ion by collision-induced dissociation and neutralization-reionization mass spectrometry, HPLC of Formula: 5805-53-8, the main research area is benzimidazole radical cation distonic tautomer CID NR mass spectra.

Ionized benzimidazole and its isomeric α-distonic ion (or ionized ylide) have been examined by recording their metastable ion, collision-induced dissociation and neutralization-reionization mass spectra. These tautomers may be distinguished by careful consideration of key features of the collision-induced dissociation spectra, with or without prior neutralization and reionization. Formation of doubly-charged ions by charge stripping occurs preferentially when the α-distonic ion is subjected to collision. This α-distonic ion survives neutralization and reionization, thus establishing that the corresponding ylide is stable on the microsecond time frame. The effects of benzannulation on the ease of differentiation of classical and distonic radical cations derived from biol. important heterocycles are considered.

European Journal of Mass Spectrometry published new progress about Collision-induced dissociation. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, HPLC of Formula: 5805-53-8.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Alkorta, Ibon published the artcileA Theoretical Study on the Tautomerism of C-Carboxylic and Methoxycarbonyl Substituted Azoles, Product Details of C9H8N2O2, the main research area is tautomerism carboxylic methoxycarbonyl substituted azole B3LYP.

DFT calculations (B3LYP/6-31+G**) have been carried out on 106 tautomers and conformers of NH-azoles bearing CO2H and CO2CH3 groups. The following azoles systems have been studied: 2-substituted pyrroles, 2-substituted indoles, 2-substituted imidazoles, 2-substituted benzimidazoles, 4(5)-substituted imidazoles, 3(5)-substituted pyrazoles, 3-substituted indazoles (1H and 2H), 3,4(5)-substituted-1,2,3(5)-triazoles, 2,3(5)-substituted-1,2(3),4-triazoles, 4(5)-1,2,3,4(5)-tetrazoles. In the case of pyrazole, 3,5-disubstituted derivatives have also been computed, including four dimers.

Structural Chemistry published new progress about Azoles Role: PRP (Properties). 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Product Details of C9H8N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Musser, J. H. published the artcileA simple one-step synthesis of alkyl benzazol-2-carboxylates, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate, the main research area is benzoxazolecarboxylate ester; cyclocondensation aminophenol trialkoxyacetate; oxalate ortho ester cyclocondensation aminophenol.

Benzoxazoles, benzothiazole derivative, and benzimidazoles I (Z = CH, N; Z1 = O, S, NH, NPh; R = Me, Et; R1 = H and R2 = H, Cl, OMe, or R1R2 = benzo) were prepared from the resp. II and (RO)3CCO2R. Thus, 2-H2NC6H4OH was treated with (MeO)3CCO2Me to give I (R = Me, Z = CH, Z1 = O, R1 = R2 = H).

Synthetic Communications published new progress about Cyclocondensation reaction. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Jagadeesh, Rajenahally V. published the artcileSelective Oxidation of Alcohols to Esters Using Heterogeneous Co3O4-N@C Catalysts under Mild Conditions, Safety of Methyl 1H-benzo[d]imidazole-2-carboxylate, the main research area is carbon supported nitrogen ligated cobalt acetate complex pyrolysis; heterogeneous cobalt oxide catalyst preparation oxidative esterification alc oxygen.

Novel cobalt-based heterogeneous catalysts have been developed for the direct oxidative esterification of alcs. using mol. oxygen as benign oxidant. Pyrolysis of nitrogen-ligated cobalt(II) acetate supported on com. carbon transforms typical homogeneous complexes to highly active and selective heterogeneous Co3O4-N@C materials. By applying these catalysts in the presence of oxygen, the cross and self-esterification of alcs. to esters proceeds in good to excellent yields.

Journal of the American Chemical Society published new progress about Carbon black Role: RCT (Reactant), RACT (Reactant or Reagent). 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Safety of Methyl 1H-benzo[d]imidazole-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Singh, Rahul published the artcileFacile synthesis of C6-substituted benz[4,5]imidazo[1,2-a]quinoxaline derivatives and their anticancer evaluation, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate, the main research area is benzimidazoquinoxaline preparation anticancer activity; MDA-MB-468; NCI-60; anticancer agents; benzimidazole; breast cancer cell line; heterocycles; quinoxaline.

On the basis of the promising anticancer potential of imidazoquinoxaline as well as the structurally similar imidazoquinoline-derived scaffold, a set of C6-substituted benzimidazo[1,2-a]quinoxaline derivatives I (R = OMe, benzylaminyl, 1H-1,3-benzodiazol-1-yl, etc.) was prepared via two novel synthetic routes using com. available starting materials, with good to excellent yields and evaluated for their anticancer activity against the NCI-60 cancer cell lines. The one-dose (10μM) anticancer screening of the synthesized compounds I in the NCI-60 cell line panel revealed that the substituents have a significant role in the activity. In particular, compounds I (R = 1H-indol-1-yl, 1H-imidazol-1-yl, 1H-1,3-benzodiazol-1-yl) derivatives showed significant activity against the triple-neg. breast cancer cell line, MDA-MB-468. The lead compounds also exhibited notable IC50 values against another breast cancer cell line, MCF-7. Furthermore, synthesized compounds I were relatively nontoxic to normal cell lines: HEK293 (human embryonic kidney cell line) and MCF12A (nontumorigenic human breast epithelial cell line). The IC50 values against healthy cells were at least 5- to 11-fold higher, offering a new class of heterocycles that can be further developed as promising therapeutics for cancer treatment.

Archiv der Pharmazie (Weinheim, Germany) published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Hys, Vasyl Y. published the artcileSynthetic Approach to Fused Azasultams with 1,2,4-Thiadiazepine Framework, Formula: C9H8N2O2, the main research area is fused azasultam thiadiazepine preparation; azole pyrrole carboxylate sulfonamide heterocyclization.

Synthetic approach to fused azasultams with 1,2,4-thiadiazepine framework via base promoted protocols has been developed. 1H-Azole-2-carboxylates and N-(chloromethyl)-N-methylmethanesulfonamide were used as ambiphilic building blocks in the one-pot and two-step reaction sequences. Chem. behavior of the obtained azasultams in reactions with amines, hydrazine, DMFDMA, and NaBH4 was investigated. An enamino ketone derived from an azasultam was exploited in the synthesis of new pyrazole and pyrimidine heterocycles.

Synthesis published new progress about Condensation reaction (sulfa-Dieckmann). 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Formula: C9H8N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ping, Kefeng published the artcileFused Hybrid Linkers for Metal-Organic Framework-Derived Bifunctional Oxygen Electrocatalysts, SDS of cas: 72721-02-9, the main research area is metal organic framework hybrid linker oxygen evolution reaction electrocatalyst.

Preparation of electrocatalysts often relies on the use of multiple starting materials, with examples arising from a single precursor being less common. A series of heterobivalent scaffolds are surveyed to identify an iron/benzimidazole-based metal-organic framework as a uniform starting material. By merging the catechol and imidazole units together, a direct entry is obtained into a highly efficient bifunctional oxygen electrocatalyst, which alleviates the need for dopants and modifying conditions. It is demonstrated that by fine-tuning the chem. nature of an organic linker, one is able to modulate the electrochem. properties of a single precursor-derived electrocatalyst material.

ACS Applied Energy Materials published new progress about Electrochemical reaction catalysts. 72721-02-9 belongs to class imidazoles-derivatives, name is 5,6-Dimethoxy-1H-benzo[d]imidazole, and the molecular formula is C9H10N2O2, SDS of cas: 72721-02-9.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

MaGee, Karen D. M. published the artcileSynthesis, Solid-state Structures, Solution Behaviour and Catalysis Studies of Nickel Complexes of Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligands, SDS of cas: 72721-02-9, the main research area is crystal structure benzimidazolinylidenepyridine pincer nickel preparation catalyst Kumada coupling; mol structure benzimidazolinylidenepyridine pincer nickel preparation catalyst Kumada coupling; aryl halide Kumada Grignard catalyst benzimidazolinylidenepyridine NHC pincer nickel.

N-Heterocyclic carbene-Ni complexes with five- and four-coordinate geometries [(CNC)NiBr2] and [(CNC)NiBr]X (X = PF6 or BPh4) were prepared with the pincer ligands 2,6-bis(N-octylbenzimidazolin-2-ylidene)pyridine and 2,6-bis(N-butyl-5,6-dimethoxybenzimidazolin-2-ylidene)pyridine. The addition of the n-octyl substituent significantly extends the solubility of the complexes and has allowed UV-visible solution studies of the complexes in CH2Cl2 and MeOH. The four- and five-coordinate species exist in equilibrium in solution and this equilibrium was explored by UV-visible studies. The complexes also were characterized by NMR studies, and single crystal x-ray diffraction studies were performed on [(CNC)NiBr2] (CNC = 2,6-bis(N-octylbenzimidazolin-2-ylidene)pyridine) and [(CNC)NiBr]BPh4 (CNC = 2,6-bis(N-butyl-5,6-dimethoxybenzimidazolin-2-ylidene)pyridine). The Ni complexes displayed only moderate activity in Tamao-Kumada-Corriu coupling reactions.

Australian Journal of Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 72721-02-9 belongs to class imidazoles-derivatives, name is 5,6-Dimethoxy-1H-benzo[d]imidazole, and the molecular formula is C9H10N2O2, SDS of cas: 72721-02-9.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ohshima, Etsuo published the artcileNon-prostanoid thromboxane A2 receptor antagonists with a dibenzoxepin ring system. 2, Related Products of imidazoles-derivatives, the main research area is benzimidazolylethylidenedibenzoxepincarboxylic acid thromboxane receptor antagonist.

A series of 11-[2-(1-benzimidazolyl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid derivatives and related compounds were synthesized and found to be potent TXA2/PGH2 receptor antagonists. Each compound synthesized was tested for its ability to displace [3H]U-46619 binding from guinea pig platelet TXA2/PGH2 receptors. Structure-activity relationship studies revealed that the following key elements were required for enhanced activities: (1) an (E)-2-(1-benzimidazolyl)ethylidene side chain in the 11-position of the dibenzoxepin ring system and (2) a carboxyl group in the 2-position of the dibenzoxepin ring system. The studies also indicated that the TXA2/PGH2 receptor binding affinities of this series of compounds in guinea pig platelet were poorly correlated with those in human platelet. Introduction of substituent(s) to the benzimidazole moiety was effective and sodium (E)-11-[2-(5,6-dimethyl-1-benzimidazolyl)ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate monohydrate (I) recorded the highest affinity for human platelet TXA2PGH2 receptor with a Ki value of 1.2 ± 0.14 nM. It demonstrated potent inhibitory effects on U-46619-induced guinea pig platelet aggregation (in vitro and ex vivo) and human platelet aggregation (in vitro). Compound I is a novel, orally active, and specific TXA2/PGH2 receptor antagonist with neither TXA2/PGH2 receptor agonistic nor TXA2 synthase inhibitory effects.

Journal of Medicinal Chemistry published new progress about Thromboxane receptor TBXA2R Role: SPN (Synthetic Preparation), PREP (Preparation). 72721-02-9 belongs to class imidazoles-derivatives, name is 5,6-Dimethoxy-1H-benzo[d]imidazole, and the molecular formula is C9H10N2O2, Related Products of imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem