Tag: M.W=100-150

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

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

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

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

Gesmundo, Nathan J. published the artcileNanoscale synthesis and affinity ranking, Product Details of C8H8N2O, the main research area is structure drug discovery.

Most drugs are developed through iterative rounds of chem. synthesis and biochem. testing to optimize the affinity of a particular compound for a protein target of therapeutic interest. This process is challenging because candidate mols. must be selected from a chem. space of more than 1060 drug-like possibilities1, and a single reaction used to synthesize each mol. has more than 107 plausible permutations of catalysts, ligands, additives and other parameters2. The merger of a method for high-throughput chem. synthesis with a biochem. assay would facilitate the exploration of this enormous search space and streamline the hunt for new drugs and chem. probes. Miniaturized high-throughput chem. synthesis3-7 has enabled rapid evaluation of reaction space, but so far the merger of such syntheses with bioassays has been achieved with only low-d. reaction arrays, which analyze only a handful of analogs prepared under a single reaction condition8-13. High-d. chem. synthesis approaches that have been coupled to bioassays, including on-bead14, on-surface15, on-DNA16 and mass-encoding technologies17, greatly reduce material requirements, but they require the covalent linkage of substrates to a potentially reactive support, must be performed under high dilution and must operate in a mixture format. These reaction attributes limit the application of transition-metal catalysts, which are easily poisoned by the many functional groups present in a complex mixture, and of transformations for which the kinetics require a high concentration of reactant. Here the authors couple high-throughput nanomole-scale synthesis with a label-free affinity-selection mass spectrometry bioassay. Each reaction is performed at a 0.1-M concentration in a discrete well to enable transition-metal catalysis while consuming less than 0.05 mg of substrate per reaction. The affinity-selection mass spectrometry bioassay is then used to rank the affinity of the reaction products to target proteins, removing the need for time-intensive reaction purification This method enables the primary synthesis and testing steps that are critical to the invention of protein inhibitors to be performed rapidly and with minimal consumption of starting materials.

Nature (London, United Kingdom) published new progress about Chemical library. 82090-52-6 belongs to class imidazoles-derivatives, name is Imidazo[1,2-a]pyridin-2-ylmethanol, and the molecular formula is C8H8N2O, Product Details of C8H8N2O.

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

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

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

Feng, Song published the artcileDiscovery of Imidazopyridine Derivatives as Highly Potent Respiratory Syncytial Virus Fusion Inhibitors, Quality Control of 82090-52-6, the main research area is imidazopyridine preparation antiviral respiratory syncytial virus fusion inhibitory activity; Respiratory syncytial virus (RSV); antiviral; fusion inhibitors; heterocycle; imidazopyridine; virus.

A series of imidazolepyridine derivatives were designed and synthesized according to the established docking studies. The imidazopyridine derivatives were found to have good potency and phys.-chem. properties. Several highly potent compounds such as I (R = CONH2, SO2Me, SO2Et) were identified with single nanomolar activities. The most potent compound I (R = SO2Et) showed an IC50 of 3 nM, lower microsome clearance and no CYP inhibition. The profile of I (R = SO2Et) appeared to be superior to BMS433771, and supported further optimization.

ACS Medicinal Chemistry Letters published new progress about Antiviral agents. 82090-52-6 belongs to class imidazoles-derivatives, name is Imidazo[1,2-a]pyridin-2-ylmethanol, and the molecular formula is C8H8N2O, Quality Control of 82090-52-6.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem