Month: November 2022

Zink, Laura published the artcileLong distance-SRN1 in nitroimidazole series favored by temperature, Product Details of C4H4BrN3O2, the main research area is long distance unimol radical nucleophilic substitution reaction nitroimidazole; imidazole nitro long distance unimol radical nucleophilic substitution.

New reductive alkylating agents in 4- and 5-nitroimidazole series produce exclusively O-alkylation with nitronate anions under classical SRN1 conditions at room temperature Electron-transfer C-alkylation is observed under microwave irradiation or under conventional heating. Furthermore, X-ray spectroscopy shows that the dihedral angles between the Ph and imidazole rings for the two series are different, which could greatly influence reactivity in 4- and 5-nitroimidazole series.

Tetrahedron Letters published new progress about Radical nucleophilic substitution reaction. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Product Details of C4H4BrN3O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kikalishvili, T. J. published the artcileTrimeric mechanism of proton transfer in imidazole, COA of Formula: C3H3FN2, the main research area is imidazole derivative proton transfer trimeric mechanism AM1 MO.

The energy, electronic, and structural characteristics of the tautomeric transformation of imidazole were calculated by the quantum-chem. semiempirical AM1 method. It was concluded on the basis of the calculated data that proton transfer in the tautomeric transformation 1H-imidazole ⇄ 3H-imidazole can take place by a trimeric mechanism.

Chemistry of Heterocyclic Compounds published new progress about Potential energy surface (proton transfer). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, COA of Formula: C3H3FN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Joshi-Pangu, Amruta published the artcileDearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation, Application In Synthesis of 67625-38-1, the main research area is dearomatization electron deficient nitrogen heterocycle cobalt catalyst stereoselective cyclopropanation.

The dearomatization of a series of electron-deficient nitrogen heterocycles has been achieved through a cobalt-catalyzed asym. cyclopropanation reaction. This reaction proceeds with high levels of enantio- and diastereoselectivity to afford unique cyclopropanes that can be further functionalized to provide complex heterocyclic building blocks.

Journal of Organic Chemistry published new progress about Cyclopropanation catalysts, stereoselective. 67625-38-1 belongs to class imidazoles-derivatives, name is Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, and the molecular formula is C10H9ClN2O2, Application In Synthesis of 67625-38-1.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Evleth, Earl M. published the artcileSystematics of the electronic absorption spectra of fused 5-6 ring heterocyclics, HPLC of Formula: 274-78-2, the main research area is heterocyclics electronic spectra; electronic spectra heterocyclics; aza substitution spectral effect; indolizines spectra.

The electronic absorption spectra of indene, indole, benzofuran isoindole, indolizine, and 1- and 2-pyrindine are rationalized by using semiempirical SCF-configuration interaction calculations The absorption spectra of these materials are also rationalized by using indenyl anion as the common perturbational model. Perturbation theory is also applied to explaining the effect of aza-substitution on the spectra of indolizines.

Theoretica Chimica Acta published new progress about Heterocyclic compounds Role: PRP (Properties). 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, HPLC of Formula: 274-78-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Morita, Kunihiko published the artcileOzagrel hydrochloride monohydrate, a thromboxane synthase inhibitor, and its metabolites as inhibitors of hepatic microsomal drug metabolism, Computed Properties of 94084-75-0, the main research area is ozagrel metabolite liver microsome drug metabolism.

The change in the hepatic oxidative drug-metabolizing capacity in humans treated with ozagrel hydrochloride (I; OZA), an imidazole derivative and a new thromboxane A2 synthase inhibitor, was studied and the inhibitory potencies of the metabolites of OZA (M-1 and M-2) on the mouse hepatic microsomal monooxygenase system in vitro were compared with that of OZA. In vitro, M-1 and M-2, which are the β-oxidized form and the reduced form of OZA, resp., inhibited aminopyrine N-demethylation, aniline hydroxylation and testosterone hydroxylations in mouse hepatic microsomes and produced type II difference spectra in the same manner as OZA. The kinetic data indicated that the inhibitory potencies and the affinities of these compounds for cytochrome P 450 were decreased in the order of M-2 > OZA > M-1. The ratio of 6β-hydroxycortisol to cortisol in urine, used as an indicator of oxidative drug-metabolizing capacity in humans, did not change significant during oral treatment with 400 mg/day of OZA, while the ratio decreased to 80-85% of the original level during treatment with 800 mg/d of OZA. Although the participation of the metabolites of OZA in the reduction of drug-metabolizing capacity in vivo is not yet clear, the results suggest that hepatic oxidative drug-metabolizing enzyme activities in humans are inhibited by treatment with a relatively high dose of OZA.

Chemical & Pharmaceutical Bulletin published new progress about Drug-metabolizing enzymes Role: PROC (Process). 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Computed Properties of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Malsawmdawngliana published the artcileAntioxidant efficacy and cytotoxicity of ethanol extract of Clerodendrum infortunatum against different cell lines, Synthetic Route of 30086-17-0, the main research area is Clerodendrum infortunatum cell line ethanol extract antioxidant efficacy cytotoxicity.

Clerodendrum infortunatum belongs to the Lamiaceae family and is a perennial shrub. It is widely known for their important medicinal values among the Mizo tribe. In the present study, the preliminary phytochem. screening, quantification of phenols, flavonoids and alkaloids, antioxidant activities by DPPH, O2- and ABTS assays and cytotoxicity by MTT assay against AGS (gastric cancer), HeLa (cervical) and HT-29 (colon) cell lines compared with normal cell line (Chang liver) were performed. Furthermore, the GC-MS profiling was also conducted. The results imply the presence of saponin, alkaloid, cardiac glycoside, phenol and flavonoid. The quantification shows that phenol content (64.35 mg/ g) was highest followed by flavonoid (61.93 mg/ g) and alkaloid (13.33 mg/ g). Its scavenging efficiency against DPPH with IC50 value was 47.99, against O2- with IC50 was 108 μg/mL and against ABTS cations with IC50 was 50.05 μg/mL, resp. The ethanol extract exhibited a maximum cytotoxicity against HeLa with IC50 value of 53.55 μg/mL, AGS with IC50 value 82.44 μg/mL and HT-29 with IC50 value of 142.2 μg/mL. However, the extract showed comparatively less toxicity against normal cell lines. Moreover, 14 active compounds were confirmed in the GC-MS anal. of the extract HPLC study also infers the occurrence of the flavonoids rutin and quercetin. Therefore, the results of C. infortunatum ethanolic extract clearly specified that it has a very high antioxidant activity as well as cytotoxic properties; which proved that this ethnomedicinal plant can be used as an alternative agent to treat a variety of illnesses.

Indian Journal of Biochemistry & Biophysics published new progress about Alkaloids Role: ANT (Analyte), ANST (Analytical Study). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Synthetic Route of 30086-17-0.

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

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

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

Kantam, M. Lakshmi published the artcileN-Arylation of heterocycles with activated chloro- and fluoroarenes using nanocrystalline copper(II) oxide, Synthetic Route of 870837-48-2, the main research area is chloroarene heterocycle nanocrystalline copper oxide N arylation; fluoroarene heterocycle nanocrystalline copper oxide N arylation; haloarene heterocycle nanocrystalline copper oxide N arylation; aryl halide imidazole nancryst copper oxide N arylation; imidazole N aryl preparation; N arylheterocycle preparation.

Nanocrystalline copper oxide was found to be an effective heterogeneous catalyst for the N-arylation of heterocycles with activated chloro- and fluoroarenes using potassium carbonate as base. N-Arylated products, e.g., I, were isolated in good to excellent yields. The catalyst can be used for five cycles with almost consistent activity.

Advanced Synthesis & Catalysis published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 870837-48-2 belongs to class imidazoles-derivatives, name is 3-Chloro-4-(1H-imidazol-1-yl)benzaldehyde, and the molecular formula is C10H7ClN2O, Synthetic Route of 870837-48-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem