Month: November 2022

Morishima, Isao published the artcileProton NMR study of hemoproteins. Ionization and orientation of iron-bound imidazole in methemoglobin and metmyoglobin, Application of 5-Fluoro-1H-imidazole, the main research area is methemoprotein imidazolyl ionization orientation; imidazolylmethemoprotein ligand ionization orientation; imidazolylmetHb ionization heme orientation; imidazolylmetmyoglobin ionization heme orientation; heme orientation imidazolylmethemoprotein ligand.

Characteristics of imidazole derivatives bound to metHb and metmyoglobin (MetMb) were investigated by H NMR spectroscopy with special regard to the ionization of the imino proton and orientation of the imidazole ring in the heme crevice. The hyperfine-shifted heme Me resonances of MetMb complexes with imidazole, 4-methylimidazole, and triazole were pH dependent, whereas those of the N-methylimidazole complex were pH independent. The pH-dependent shifts in the former complexes were attributed to the deprotonation of the imino proton of imidazole derivatives bound to the heme Fe. In contrast, MetMb complexes with 4-nitroimidazole and 4-fluoroimidazole, both of which have the ionizable NH proton, did not exhibit such pH-dependent shifts, indicating restricted orientation of the Fe-bound 4-nitroimidazole and 4-fluoroimidazole in the heme crevice, where the imino proton is not exposed to the solvent sphere. In the MetMb-imidazole complex, however, pH dependence of the hyperfine shifts was observed, in contrast to the case of imidazole-MetMb. This was also interpreted as arising from the specific orientation of the Fe-bound exogenous imidazole in the MetMb heme pocket. Two sets of heme Me proton resonances were detected for the 4-fluoroimidazole-MetMb complex and these were attributed to the 2 tautomeric forms of the Fe-bound 4-fluoroimidazole. The relative proportion of the 2 tautomers was dependent on both pH and temperature The temperature dependence of the hyperfine shifts of the 2 species indicated that they are in a single spin state.

Biochimica et Biophysica Acta, Protein Structure published new progress about Ionization. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Application of 5-Fluoro-1H-imidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Hayakawa, Yoshio published the artcileSyntheses of (trifluoromethyl)imidazoles with additional electronegative substituents. An approach to receptor-activated affinity labels, Computed Properties of 30086-17-0, the main research area is imidazole trifluoromethyl preparation herbicide insecticide; affinity label preparation trifluoromethylimidazole.

Electrophilic substitution in 2- and 4-(trifluoromethyl)imidazoles provides derivatives containing one or two nitro, chloro, bromo, or iodo groups. Fluoro and chloro derivatives were also prepared by photochem. trifluoromethylation of the resp. haloimidazole. The results demonstrate that (trifluoromethyl)imidazoles behave fairly typically under the conditions of electrophilic nitration and halogenation. Of the alternative routes to the desired bifunctional and trifunctional imidazoles, electrophilic substitution on the preformed (trifluoromethyl)imidazole appears to be the method of choice in most cases. A large number of the products show herbicidal or insecticidal activity.

Journal of Organic Chemistry published new progress about Herbicides. 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

Li, Yuqiang published the artcileEffect of water-containing acetone-butanol-ethanol gasoline blends on combustion, performance, and emissions characteristics of a spark-ignition engine, Related Products of imidazoles-derivatives, the main research area is water acetone butanol ethanol gasoline blend combustion emission engine.

Bio-butanol has proved to be a promising alternative fuel in recent years; it is typically produced from ABE (acetone-butanol-ethanol) fermentation from non-edible biomass feedstock. The high costs for dehydration and recovery from dilute fermentation broth have so far prohibited bio-butanol’s use in internal combustion engines. There is an interesting in studying the intermediate fermentation product, i.e. water-containing ABE as a potential fuel. However, most previous studies covered the use of water-containing ABE-diesel blends. In addition, previous studies on SI engines fueled with ABE did not consider the effect of water. Therefore, the evaluation of water-containing ABE gasoline blends in a port fuel-injected spark-ignition (SI) engine was carried out in this study. Effect of adding ABE and water into gasoline on combustion, performance and emissions characteristics was investigated by testing gasoline, ABE30, ABE85, ABE29.5W0.5 and ABE29W1 (29 volume% ABE, 1 volume% water and 70 volume% gasoline). In addition, ABE29W1 was compared with gasoline under various equivalence ratios (Φ = 0.83-1.25) and engine loads (3 and 5 bar BMEP). It was found that ABE29W1 generally had higher engine toque (3.1-8.2%) and lower CO (9.8-35.1%), UHC (27.4-78.2%) and NOx (4.1-39.4%) than those of gasoline. The study indicated that water-containing ABE could be used in SI engines as an alternative fuel with good engine performance and low emissions.

Energy Conversion and Management published new progress about Combustion. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Related Products of imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Teulade, J. C. published the artcileNew aspects of the nitration of some imidazo[1,2-a]pyridines. CNDO/2 calculations from x-ray structures, Recommanded Product: Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, the main research area is nitration regiochem imidazopyridine derivative; crystal structure imidazopyridine derivative; mol structure imidazopyridine derivative; MO imidazopyridine derivative.

The reactivity of the imidazo[1,2-a]pyridine system was examined CNDO/2 calculations based on x-ray structure determinations of 5-ethoxyimidazo[1,2-a]pyridine, Et 8-methylimidazo[1,2-a]pyridine-2-carboxylate, and Et 6-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylate are compared with exptl. results of the nitration of variously substituted imidazo[1,2-a]pyridines, and are found compatible with the individual reactivities.

Australian Journal of Chemistry published new progress about Bond order. 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, Recommanded Product: Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Qiao, Qing-An published the artcileTheoretical study of one-carbon unit transfer between methyl-AICA and N1-methyl-N1-acryloyl-formamide, COA of Formula: C5H8N4O, the main research area is methylaminocarboxamide imidazole methylacryloylformamide carbon unit transfer; aminoimidazole carboxamide ribonucleotide transformylase model DFT Hartree Fock; glycinamide ribonucleotide transformylase model DFT Hartree Fock.

The mechanism of one-carbon unit transfer between 1-methyl-5-amino-4-carboxamide imidazole (M-AICA) and N1-methyl-N1-acryloyl-formamide (the model mol. of 10-f-H4F) is investigated by the Hartree-Fock and DFT methods, resp., at the 6-31G* basis level. The authors have modeled the reactions catalyzed by 5-aminoimidazole-4-carboxamide ribonucleotide transformylase and glycinamide ribonucleotide transformylase. There are two different channels for the proton transfer, resulting in two reaction pathways with different properties. The results indicate that both channels can complete the reaction, but path a is slightly favored due to its lower active energy barrier. Furthermore, the influence of 4-carboxamide in M-AICA is also discussed. This group can stabilize the reactant and intermediates, and reduce the active energy barrier through the intermol. hydrogen bond. The intermol. hydrogen bond results in an enlarged conjugation system and makes the transition states more stable. Our results are in agreement with experiments

International Journal of Quantum Chemistry published new progress about Bond angle. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, COA of Formula: C5H8N4O.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Cignarella, Giogrio published the artcileBicyclic homologs of piperazine. VII. Synthesis and analgesic activity of 3-aralkenyl-8-propionyl-3,8-diazabicyclo[3.2.1]octanes, Synthetic Route of 274-78-2, the main research area is ANALGESICS AND ANTIPYRETICS; BRIDGED COMPOUNDS; CHEMISTRY, PHARMACEUTICAL; EXPERIMENTAL LAB STUDY; MICE; PHARMACOLOGY; RATS; TOXICOLOGIC REPORT.

cf. CA 59, 11490g, 15283g. With the aim of enhancing the analgesic activity of 3-cinnamyl-8-propionyl-3,8-diazabicyclo[3.2.1] octane (I), 25 derivatives were synthesized in which the 3-aralkenyl group was variously modified. Some of these compounds exhibited an analgesic potency comparable with that of I.

Journal of Medicinal Chemistry published new progress about Analgesics. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Synthetic Route of 274-78-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Abignente, Enrico published the artcileResearch on heterocyclic compounds. XXVIII. Imidazo[1,2-c]pyrimidines, COA of Formula: C6H5N3, the main research area is imidazopyridine derivative antipyretic antiinflammatory analgesic structure; ulcer formation imidazopyrimidine derivative structure.

A group of 24 imidazo[1,2-c]pyrimidines (I, R1 = CO2H, CO2Et, CONH2, CH2CO2H; R2 = Me, OMe; R3 = OMe, Me, Cl) was taken into consideration to study the relationships between chem. structure and anti-inflammatory activity. Some of these compounds were synthesized by the authors in the past, the others have been synthesized and characterized to complete the series. Anti-inflammatory, analgesic, antipyretic and gastric ulcerogenic activities of such compounds were compared with those of indomethacin and discussed in terms of the effects exerted by the presence on the heterocyclic system of various substituents and an acidic or nonacidic moiety.

Farmaco published new progress about Analgesics. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, COA of Formula: C6H5N3.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Meshcheryakova, S. A. published the artcileSynthesis of new thietanylpyrimidine and thietanylimidazole derivatives, Synthetic Route of 18874-52-7, the main research area is pyrimidine chloromethylthiirane alkylation rearrangement; chloromethylthiirane imidazole alkylation rearrangement; thietane pyrimidine preparation; imidazole thietane preparation.

New thietanyl-substituted derivatives of pyrimidine-2,4(1H,3H)-dione and imidazole were synthesized. The alkylation of 6-methylpyrimidine-2,4(1H,3H)-diones with 2-(chloromethyl)thiirane in water involved N(1) of the pyrimidine ring and afforded 6-methyl-1-(thietan-3-yl)pyrimidine-2,4(1H,3H)-diones. Under analogous conditions, 6-aminopyrimidine-2,4(1H,3H)-dione gave 6-(thietan-3-ylamino)pyrimidine-2,4(1H,3H)-dione. Unsym. substituted 2-methyl-4(5)-nitro- and 5(4)-bromo-2-methyl-4(5)-nitro-1H-imidazoles reacted with 2-(chloromethyl)thiirane to produce mixtures of isomeric 2-methyl-4(5)-nitro-1-(thietan-3-yl)-1H-imidazoles and 5(4)-bromo-2-methyl-4(5)-nitro-1-(thietan-3-yl)-1H-imidazoles.

Russian Journal of Organic Chemistry published new progress about Alkylation. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Synthetic Route of 18874-52-7.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Foldesi, Tamas published the artcileEfficient synthesis of a new compound family, 9-aryl-5H-imidazo[2,1-d][1,2,5]triazepin-6(7H)-ones, SDS of cas: 62457-94-7, the main research area is imidazole aroyl alkylation hydrolysis protection acid ring closure; triazepinone aryl imidazo preparation.

Representatives of a new compound family, 9-aryl-5H-imidazo[2,1-d][1,2,5]triazepin-6(7H)-ones I (Ar = Ph, 4-FC6H4, 4-ClC6H4, 3-ClC6H4, 4-MeOC6H4, 3-CF3C6H4, 4-NO2C6H4, 2-thienyl) have been synthesized. As structural analogs of biol. active 1-aryl-2,3-benzodiazepine-4-ones, these compounds are potential drug candidates in the diseases of the central nervous system. An efficient five-step synthesis starting from imidazole is described here for the preparation of the target compounds Shorter routes have also been studied, however, these attempts failed.

Tetrahedron published new progress about Alkylation. 62457-94-7 belongs to class imidazoles-derivatives, name is (4-Chlorophenyl)(1H-imidazol-2-yl)methanone, and the molecular formula is C10H7ClN2O, SDS of cas: 62457-94-7.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Demirayak, Seref published the artcileSynthesis of some 6,8-diarylimidazo[1,2-a]pyrazine derivatives by using either reflux or microwave irradiation method and investigation of their anticancer activities, Product Details of C10H7ClN2O, the main research area is diarylimidazopyrazine anticancer agent structure activity relationship human cancer leukemia; microwave irradiation alkylation heterocyclization diarylimidazopyrazine pyrazine derivative preparation.

The preparation of 6,8-diarylimidazo[1,2-a]pyrazines, e.g. I, via the reaction of 1-(2-aryl-2-oxoethyl)-2-aryloylimidazole derivatives, e.g. II, with ammonium acetate in acetic acid utilizing a new method, is reported. Anticancer activities of the compounds obtained were evaluated and the activity values were reported.

Journal of Heterocyclic Chemistry published new progress about Alkylation. 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