Category: imidazoles-derivatives

Katsifis, Andrew published the artcileSynthesis of [123I]N’,N’-dimethyl-6-methyl-(4′-iodophenyl)imidazo[1,2-a]pyridin e-3-acetamide for the study of Peripheral Benzodiazepine Receptors using SPECT, Name: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine, the main research area is iodine 123 iodozolpidem preparation SPECT peripheral benzodiazepine receptor.

The [123I] labeled imidazo[1,2-a]pyridine [123I]iodozolpidem was found to exhibit preferential activity towards peripheral rather than central benzodiazepine receptors in vivo and was synthesized for the potential study of the peripheral benzodiazepine receptors (PBR) using SPECT. [123I]Iodozolpidem was prepared from the corresponding tri-Bu tin precursor by iododestannylation with Na[123I] in the presence of peracetic acid or chloramine-T. Purification by semipreparative C-18 RP HPLC gave the product in radiochem. yields of 60-85%. The product was obtained in > 97% chem. and radiochem. purity with a specific activity > 80 GBq/μmol.

Journal of Labelled Compounds & Radiopharmaceuticals published new progress about Radiodiagnosis. 1023-01-4 belongs to class imidazoles-derivatives, name is 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine, and the molecular formula is C14H11BrN2, Name: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Al-Saadi, Abdulaziz A. published the artcileUnderstanding the Influence of Electron-Donating and Electron-Withdrawing Substituents on the Anticorrosive Properties of Imidazole: A Quantum-Chemical Approach, Category: imidazoles-derivatives, the main research area is imidazole substituent effect protonation mol structure HOMO LUMO.

The nature and position of electron-donating and electron-withdrawing substituents are believed to play a major role on the corrosion inhibition properties in small organic mols. In this study, the substituent effect on the imidazoles anticorrosive properties has been explored theor. using the d. functional theory performed at the B3LYP/6-311++G(d,p) level. A wide spectrum of substituents including NH2, COOH, I, Br, Cl, F, CN, F, OH, OCH3, NO2, C6H5 and SH groups has been explored in the aqueous medium, and the different possible substitution positions have been investigated. Frontier MOs and quantum-chem. reactivity descriptors were calculated for the neutral and protonated forms of imidazole derivative While the energy gaps, electronegativity and global hardness values showed a very good agreement with the corrosion inhibition performance reported from previous exptl. work for imidazoles, the electrophilicity and mol. volume parameters were found less consistent. This study concluded that the amino and nitro groups, in particular those at C2 and C4 positions, exhibit prominent corrosion inhibition performance. The electron-releasing Ph and methoxy substituents could also play a potential role in enhancing the anticorrosive properties of imidazole.

Arabian Journal for Science and Engineering published new progress about Atomic charge. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Das, A. published the artcileExperimental and Theoretical Studies on Molecular Structures, Nanostructural Features, and Photophysical Properties of 5-Amino-1-Alkylimidazole-4-Carboxamide Compounds, Name: 5-Amino-1-methyl-1H-imidazole-4-carboxamide, the main research area is aminoalkylimidazolecarboxamide intramol hydrogen bond charge fluorescence.

A detailed interpretation of exptl. spectral data on 1H and 13C NMR chem. shifts of compounds determined from the DFT calculation is reported. The DFT calculated values are in good agreement with the exptl. results. The NBO anal. is used to investigate the stability of 1-alkylAICA. The HOMO and LUMO anal. is performed to study the charge transfer property within the mol. as well as various mol. properties viz EHOMO, ELUMO, energy gap, ionization potential, electron affinity, electronegativity, chem. potential, electrophilicity, global hardness as well global softness, and so on. The formation of a 1D nano structure of 1-alkylAICA compounds is detected by SEM studies. The UV and fluorescence study is performed to observe the variation of their photophys. properties on going from the monomer to the nanostructure. TDDFT is applied to analyze exptl. measured absorption and emission spectra. A fluorescence life-time measurement is performed for the series of 1-AlkylAICA.

Journal of Structural Chemistry published new progress about Atomic charge. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Name: 5-Amino-1-methyl-1H-imidazole-4-carboxamide.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Saito, Tohru published the artcilePurines. LXIV. Syntheses of 9-methyl-2-azaadenine 1-oxide, its O-methyl derivative, and 1-substituted 5-azidoimidazole-4-carboxamides, Application of 5-Amino-1-methyl-1H-imidazole-4-carboxamide, the main research area is aminoimidazolecarboxamidine diazotization; nucleoside azaadenine; methylazaadenine oxide.

Diazotization of 5-amino-N’-methoxy-1-methylimidazole-4-carboxamidine with NaNO2 in 1N aqueous HCl was found to give the 1-methoxy-2-azaadenine derivative I·HI, which produced 5-azido-1-methylimidazole-4-carbonitrile (II) on treatment with aqueous Na2CO3. The ribosyl analog, obtained by similar diazotization, was utilized for the synthesis of 5-azido-1-β-D-ribofuranosylimidazole-4-carboxamideIII, a novel AICA riboside analog. On heating in HCONMe2 at 70°C for 10 min, I·HI yielded the 1-N-oxide. Several reactions to transform the functional groups in II were also investigated.

Chemical & Pharmaceutical Bulletin published new progress about Diazotization. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Application of 5-Amino-1-methyl-1H-imidazole-4-carboxamide.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yamada, Junji published the artcileParticipation of peroxisomal β-oxidation system in the chain-shortening of a xenobiotic acyl compound, SDS of cas: 94084-75-0, the main research area is drug metabolism liver beta oxidation; peroxisome function drug metabolism.

A model drug, (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid  [82571-53-7], was metabolized to 4-(1-imidazolylmethyl)benzoic acid  [94084-75-0] by isolated hepatocytes of rats and this metabolism was enhanced by pretreatment of rats with clofibrate. With liver homogenates, the formation of the CoA-ester [94666-06-5] of this drug and its subsequent chain-shortening were demonstrated. Acyl-CoA synthetase  [9013-18-7], CoA  [85-61-0], ATP  [56-65-5], and NAD  [53-84-9] were required for this metabolic sequence; CN- did not inhibit the reaction. These results indicate that peroxisomes are capable of shortening the acyl side-chains of drugs by the β-oxidation, giving an addnl. suggestion on the functions of peroxisomes.

Biochemical and Biophysical Research Communications published new progress about Alkyl groups. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, SDS of cas: 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kim, Moon H. published the artcileThe design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors, Product Details of C10H7ClN2O, the main research area is indolinone derivative preparation antitumor receptor tyrosine kinase inhibitor pharmacokinetic.

Variously substituted indolin-2-ones were synthesized and evaluated for activity against KDR, Flt-1, FGFR-1 and PDGFR. Extension at the 5-position of the oxindole ring with Et piperidine (I) proved to be the most beneficial for attaining both biochem. and cellular potencies. Further optimization of I to balance biochem. and cellular potencies with favorable ADME/ PK properties led to the identification of II, a compound with a clean CYP profile, acceptable pharmacokinetic and toxicity profiles, and robust efficacy in multiple xenograft tumor models.

Bioorganic & Medicinal Chemistry Letters published new progress about Angiogenesis. 62457-94-7 belongs to class imidazoles-derivatives, name is (4-Chlorophenyl)(1H-imidazol-2-yl)methanone, and the molecular formula is C10H7ClN2O, Product Details of C10H7ClN2O.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ikemoto, Tomomi published the artcileReactions with N-chlorosuccinimide of various 5-methylimidazo[1,2-a]pyridine derivatives with an electron-withdrawing group substituted at the 3-position, Formula: C8H7BrN2, the main research area is methylimidazopyridine preparation reaction chlorosuccinimide; pyridine methylimidazo preparation reaction chlorosuccinimide; imidazopyridine methyl preparation reaction chlorosuccinimide; chlorination mechanism methylimidazopyridine.

Chlorination reactions using N-chlorosuccinimide (NCS) was investigated for various 5-methylimidazo[1,2-a]pyridine derivatives, e.g. I (R = Cl, Br, NO2, CHO, CO2Et), with an electron-withdrawing group substituted at the 3-position. These reactions showed different results. Thus, reacting I (R = Cl) with NCS gave chloromethyl derivatives II (R1 = CH2Cl, CHCl2), whereas reacting I (R = Br) with NCS gave imidazopyridinium salts III (R2 = Br, Cl; X = Br, Cl). A proposed reaction mechanism for these transformations involved 3-halogenoimidazo[1,2-a]pyridium compounds as reaction intermediates.

Heterocycles published new progress about Chlorination. 5857-47-6 belongs to class imidazoles-derivatives, name is 3-Bromo-5-methylimidazo[1,2-a]pyridine, and the molecular formula is C8H7BrN2, Formula: C8H7BrN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kiselyov, Alexander S. published the artcileNovel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates, Quality Control of 5805-53-8, the main research area is inhibitor VEGF receptor azole carboxamide preparation SAR.

We have developed a series of novel potent 1-(2-(pyridin-4-yl)ethyl)-1H-azole-5-carboxamides active against kinases VEGFR-2 and -1. Both specific and dual ATP-competitive inhibitors of VEGFR-2 were identified. Kinase selectivity could be controlled by varying the 5-carboxamide substituent at the azole ring. The most specific mols. displayed >10-fold selectivity for VEGFR-2 over VEGFR-1. Compound activities in vitro and in cell-based assays (IC50 < 100 nM) were similar to those of reported clin. and development candidates, including PTK787 (Vatalanibtrade) and ZD6474 (Vandetanib). High permeability of active compounds across the Caco-2 cell monolayer (>40×10-5 cm/min) is indicative of their potential for intestinal absorption upon oral administration.

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Quality Control of 5805-53-8.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ennis, B. C. published the artcile2-Trihalomethylbenzazoles. III. Reactions of 2-(trichloromethyl)benzimidazole with nucleophiles, Product Details of C9H8N2O2, the main research area is BENZAZOLES; BENZIMIDAZOLES; IMIDAZOLES BENZ.

cf. preceding abstracts Nucleophilic displacements of Cl from 2-(trichloromethyl)benzimidazole (I) by water, alcs., phenols, and their S analogs are described. The special reactivity of the trichloromethyl group in this compound is compared with that of the trichloromethyl group in non-activated positions. The Friedel-Crafts reaction of 2-(trichloromethyl)benzimidazole with benzene is reported.

Journal of the Chemical Society [Section] C: Organic published new progress about Nucleophiles. 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

Kurzepa, M. published the artcileTheoretical studies on tautomerism and IR spectra of C-5 substituted imidazoles, Safety of 5-Fluoro-1H-imidazole, the main research area is theor tautomerism IR substituted imidazole.

Total energy, Gibbs free energy, the highest π and σ electronic states, and IR spectra were calculated for twelve C-5 substituted imidazoles at the MP2/6-311++G** level. The COOH and BH2 groups stabilize strongly the N1-H tautomer, the F and OH groups stabilize strongly the N3-H tautomer, whereas the NH2 and NO2 groups favors the N3-H tautomer with a similar, medium strength. The calculated IR spectra of the imidazoles studied reveal differences between the two tautomers, but they do not follow the order of derivatives emerging from the energetics.

Journal of Molecular Structure published new progress about Amino group. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Safety of 5-Fluoro-1H-imidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem