Tag: M.W=50-100

Gianotti, Massimo published the artcileNovel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders, SDS of cas: 30086-17-0, the main research area is imidazo benzazepine derivative preparation dual H1 5HT2A antagonist structure; sleep disorder imidazo benzazepine derivative.

A novel imidazobenzazepine template (5a) with potent dual H1/5-HT2A antagonist activity was identified. Application of a zwitterionic approach to this poorly selective and poorly developable starting point successfully delivered a class of high quality leads, 3-[4-(3-R1-2-R-5H-imidazo[1,2-b][2]benzazepin-11-yl)-1-piperazinyl]-2,2-dimethylpropanoic acids (e.g., 9, 19, 20, and 21), characterized by potent and balanced H1/5-HT2A receptor antagonist activities and good developability profiles.

Bioorganic & Medicinal Chemistry Letters published new progress about 5-HT2A antagonists. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, SDS of cas: 30086-17-0.

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

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

Chermahini, Alireza Najafi published the artcileTheoretical studies on the reactivity of mono-substituted imidazole ligands, Product Details of C3H3FN2, the main research area is Fukui reactivity monosubstituted imidazole ligand DFT B3LYP MP2.

The global and local quantum chem. reactivity descriptors of imidazole derivatives substituted at 2, 4, and 5 positions with different groups including electron-donating and electron-withdrawing substituents were calculated using the B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) methods. The substituents were selected to cover a wide range of electronic effects. Considering the calculated Fukui functions, both imidazole derivatives and their anions are suitable nucleophilic sites in the gas phase. For the most substituents the calculated Fukui function f-k values at the N-site are small in case of electron-releasing substituents indicating a preferred N-site for hard reaction. In contrast, large f-k values in case of electron-attracting groups indicate a preferred N-site for soft reaction. These two local descriptors predicted the reactivity of the electron-rich imidazole sequence to be 2-substituted imidazoles > 5-substituted imidazoles > 4-substituted imidazole where reactivity toward electrophilic attack at a pyridine nitrogen atom is enhanced by electron donor substituents elsewhere in the mol., due to resonance effect.

Structural Chemistry published new progress about Density functional theory, B3LYP. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Product Details of C3H3FN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Fabra, F. published the artcileFluoroazoles. II. Synthesis and proton and fluorine-19 NMR spectra of 2-, 4-, and 5-fluoro-1-methylimidazole, Formula: C3H3FN2, the main research area is imidazole fluoro methyl NMR; NMR fluorine fluoromethylimidazole.

The three possible ring-monofluorinated N-methylimidazoles were prepared by photochem. irradiation of the corresponding diazonium tetrafluoroborates. 5-Fluoro-1-methylimidazole was also obtained by methylation of 1-acetyl-4-fluoroimidazole. The 1H and 19F NMR spectra of these N-methylated fluoroazoles are compared, and the predominance of one tautomeric form in 4(5)-fluoroimidazole is discussed.

Journal of Heterocyclic Chemistry published new progress about NMR (nuclear magnetic resonance). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Formula: C3H3FN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Cohen, Louis Arthur published the artcilePhotochemical decomposition of diazonium fluoroborates. Application to the synthesis of ring-fluorinated imidazoles, Related Products of imidazoles-derivatives, the main research area is imidazole fluoro; diazonium fluoroborate photodecomposition; histidine fluoro.

Photochem. decomposition of imidazolediazonium fluoroborates, in fluoroboric acid solution at 10-25°, leads to ring-fluorinated imidazoles. Compounds synthesized by this method include 2-fluoroimidazole, 4-fluoroimidazole, 4 – fluoroimidazole – 5 – carboxylic acid (esters and amides), and 4-fluoro-DL-histidine. These compounds are of interest as analogs of biochem. and pharmacol. significant imidazoles.

Journal of the American Chemical Society published new progress about Diazonium compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Related Products of imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kirk, Kenneth L. published the artcilePhotochemistry of diazonium salts. III. New and facile synthesis of 4-fluorimidazoles, Computed Properties of 30086-17-0, the main research area is imidazole fluoro acetamidoalkyl; photochem diazonium salt; fluoroimidazole acetamidoalkyl.

Synthesis of 4-fluoroimidazoles (I) is described. Reduction of 4-nitroimidazoles with Zn dust in cold 50% HBF4 gave 4-aminoimidazoles the diazonium salts of which were subjected to irradiation to yield. I. The entire sequence is performed in HBF4 solution without isolation of intermediates.

Journal of Organic Chemistry published new progress about Diazonium compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Computed Properties of 30086-17-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Chandra, Tilak published the artcileRegio- and Stereoselective Glycosylation: Synthesis of 5-Halo-Imidazole α-Ribonucleosides, HPLC of Formula: 30086-17-0, the main research area is crystal mol structure haloimidazole nucleoside synthesis stereoselective regioselective glycosylation; stereoselective regioselective glycosylation synthesis halogen imidazole nucleoside synthon cobalamin.

We describe the synthesis of novel 5-halo-imidazole ribonucleosides, e.g. I, as precursors of modified cobalamins. A regio- and stereoselective glycosylation of protected ribose with silylated 4(5)-halo-imidazoles produces 5-halo-imidazole ribonucleosides predominantly in the α-configuration (60-75%) without any 4-substituted imidazole ribonucleoside. The structure of the 5-fluoroimidazole ribonucleoside was confirmed by X-ray crystallog. and 2D NMR spectroscopy.

Journal of Organic Chemistry published new progress about Corrinoids Role: SPN (Synthetic Preparation), PREP (Preparation). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, HPLC of Formula: 30086-17-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Dahanayake, Jayangika N. published the artcileEvaluating electronic structure methods for accurate calculation of 19F chemical shifts in fluorinated amino acids, Category: imidazoles-derivatives, the main research area is electronic structure fluorine 19 shift fluorinated amino acid; DFT; chemical shifts; density functional; fluorinated amino acids; fluorine NMR; fluorolabeling; scaling factors; shielding.

The ability of electronic structure methods (11 d. functionals, HF, and MP2 calculations; two basis sets and two solvation models) to accurately calculate the 19F chem. shifts of 31 structures of fluorinated amino acids and analogs with known exptl. 19F NMR spectra has been evaluated. For this task, BHandHLYP, ωB97X, and Hartree-Fock with scaling factors (provided within) are most accurate. Addnl., the accuracy of methods to calculate relative changes in fluorine shielding across 23 sets of structural variants, such as zwitterionic amino acids vs. side chains only, was also determined This latter criterion may be a better indicator of reliable methods for the ultimate goal of assigning and interpreting chem. shifts of fluorinated amino acids in proteins. MP2 and M062X calculations most accurately assess changes in shielding among analogs. These results serve as a guide for computational developments to calculate 19F chem. shifts in biomol. environments.

Journal of Computational Chemistry published new progress about Density functional theory. 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

Wettasinghe, Mahinda published the artcileVolatiles from Roasted Byproducts of the Poultry-Processing Industry, HPLC of Formula: 30086-17-0, the main research area is chicken byproduct volatile composition.

Volatiles of roasted chicken breast muscle and byproducts, such as backbones, breastbones, spent bones, and skin, were investigated. Total volatile concentrations ranged from 2030 ppb in the roasted backbones to 4049 ppb in the roasted skin. The major classes of volatile compounds detected in roasted samples were aldehydes (648-1532 ppb) and alcs. (336-1006 ppb). Nitrogen- and/or sulfur-containing compounds were also detected in appreciable quantities (161-706 ppb) in all samples. For all samples, hexanal and 2-methyl-2-buten-1-ol were dominant among the aldehydes and alcs., resp. Among the nitrogen- and sulfur-containing compounds, Maillard reaction products, such as tetrahydropyridazines, piperidines, and thiazoles, were the major contributors to the total volatile content in all samples. The composition of volatiles observed in roasted byproducts was markedly different from that of the roasted breast muscle. Therefore, the blending of the byproducts in appropriate proportions or blending of volatile flavor extracts from different byproducts may be necessary to obtain an aroma that mimics roasted chicken aroma.

Journal of Agricultural and Food Chemistry published new progress about Aldehydes Role: BAC (Biological Activity or Effector, Except Adverse), BSU (Biological Study, Unclassified), BIOL (Biological Study). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, HPLC of Formula: 30086-17-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem