Month: November 2022

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

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

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

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

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

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

Fujii, Tozo published the artcilePurines. XX. Synthesis of 1-substituted 5-aminoimidazole-4-carboxamidines and related compounds, Recommanded Product: 5-Amino-1-methyl-1H-imidazole-4-carboxamide, the main research area is imidazolecarboxamidine amino; adenine.

Several 1-substituted 5-aminoimidazole-4-carboxamidines I (R = Me, Et, PhCH2, β-D-ribofuranosyl) were prepared from the corresponding N’-alkoxyamidines (R2 = Me, Et, PhCH2) by catalytic hydrogenolysis. In the hydrogenolysis of II using Raney Ni catalyst, addition of one molar equivalent of HCl accelerated the reaction to give I in acceptable yields. The structures of I were confirmed by cyclization to 9-substituted adenines III and by alk. hydrolysis to 1-substituted derivatives of 5-aminoimidazole-4-carboxamide.

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

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Poplawska, Magdalena published the artcileDetermination of flibanserin and tadalafil in supplements for women sexual desire enhancement using high-performance liquid chromatography with tandem mass spectrometer, diode array detector and charged aerosol detector, Recommanded Product: 1-(2-Chloroethyl)-1H-benzo[d]imidazol-2(3H)-one, the main research area is flibanserin tadalafil determination counterfeit herbal supplement HPLC mass spectrometry; Adulteration; Charged aerosol detector; Counterfeit herbal supplement; Flibanserin; Unified calibration.

The new compound – flibanserin – begun to appear as a synthetic adulterant in counterfeit herbal supplements used to stimulate women sexual drive. It was detected in 2 samples submitted to the Polish National Medicines Institute for anal. The second sample contained also tadalafil. This study presents the LC method development which enables the determination of flibanserin and tadalafil. It employs 3 different detectors charged aerosol detector (CAD), diode array detector (DAD) and mass spectrometer (MS). The conditions of the elaborated method were optimized to obtain the highest sensitivity and the best resolution, especially the separation of icariin – the natural compound observed often in supplements for sexual disorders. The validation of the method proved good linearity, good accuracy and precision of the measurements recorded by all 3 detectors. Addnl., for CAD data, an alternative calculation method using a unified calibration function was presented and evaluated. It seems that this is the way to overcome the problem of non-availability of the reference standard of a target compound Flibanserin content was quantified using the data of other reference standard (tadalafil). The inaccuracy of proposed indirect determination was found to be ±3%. A statistical evaluation proved that the results obtained with all detection modes and the results calculated using a unified calibration were not significantly different (p > 0.05).

Journal of Pharmaceutical and Biomedical Analysis published new progress about Counterfeiting. 52548-84-2 belongs to class imidazoles-derivatives, name is 1-(2-Chloroethyl)-1H-benzo[d]imidazol-2(3H)-one, and the molecular formula is C9H9ClN2O, Recommanded Product: 1-(2-Chloroethyl)-1H-benzo[d]imidazol-2(3H)-one.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Dumanovic, D. published the artcileSimultaneous determination of N-substituted and N-substituted nitroazoles, and criteria for their identification. III. Chromatographic separation and polarographic determination of halonitroimidazoles, Name: 5-Bromo-2-methyl-4-nitroimidazole, the main research area is halonitroimidazole mixture polarog chromatog; chromatog thin layer halonitroimidazole; nitroimidazole halo polarog determination; imidazole halo nitro determination.

Halonitroimidazoles with the NO2 group in the same position are separated for identification by thin-layer chromatog. on unactivated silica gel HF254 in an atm. saturated with the vapor of 1 of 5 developers, the plate then being sprayed with 15% SnCl2 solution in aqueous HCl, dried, sprayed with p-dimethylaminobenzaldehyde solution, and redried. All 4-nitro derivatives give a yellow color and 4(5)- and 5-nitro compounds are yellow-red. Polarog. determination of halonitroimidazoles may be used in all synthetic processes where the azoles were prepared by nitration of haloimidazoles. A sample of the reaction mixture containing ≤10-3M polarog.-active compound and a suitable buffer is polarographed in the presence and absence of 2 ml 10-3M standard solution of the imidazole being determined and the amount imidazole is directly calculated from the observed wave heights. For halonitroimidazoles obtained from 5(4)-halo-4(5)-nitroimidazoles by substitution of the imino H, and when only one N-substituted derivative is present in the reaction mixture, simultaneous polarog. determination of both compounds is possible only in alk. medium. For mixtures on which simultaneous polarog. determination is impossible a sample of the reaction mixture containing 3 × 10-3-10-2M of all polarog.-active compounds is chromatog. separated and the bands are removed, dissolved in water, and then polarographed.

Talanta published new progress about Chromatography. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Name: 5-Bromo-2-methyl-4-nitroimidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Linz, Sabine published the artcileDesign, synthesis and dopamine D4 receptor binding activities of new N-heteroaromatic 5/6-ring Mannich bases, Category: imidazoles-derivatives, the main research area is dopamine D4 receptor antagonist Mannich bases SAR preparation.

A series of phenylpiperazine-methyl-substituted 1H-pyrrolo[2,3-c]pyridine, imidazo[1,2-c]-, pyrrolo[2,3-d]- and pyrrolo[3,2-d]pyrimidines were prepared as selective dopamine D4-ligands. The pyrrolo[2,3-d]pyrimidine derivatives 12d (I) (K i = 1,9 nM) and 34d (II)(K i = 2,4 nM) as well as the pyrrolo[3,2-d]pyrimidine Mannich base 49f (III) (K i = 2,8 nM) showed high dopamine D4 receptor activity superior to the atypical antipsychotic agent clozapine.

Bioorganic & Medicinal Chemistry published new progress about Antipsychotics. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem