Category: 27412-71-1

Katane, Masumi published the artcileIdentification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro, Quality Control of 27412-71-1, the main research area is Amino acid oxidase inhibitor screening.

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO.

Journal of Medicinal Chemistry published new progress about Antipsychotics. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Quality Control of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.

The heats of formation, dipole moments, polarizabilities and ionization potentials of 96 compounds, eight theor. possible tautomeric forms of N-unsubstituted pyrazolones (hydroxypyrazoles) and 11 of their C-substituted derivatives, are calculated by means of the MNDO method, with and without CI. The MNDO + CI results for the relative stabilities are in agreement with the available exptl. data. They present that in all cases the most stable in the vapor phase are hydroxypyrazole forms, excepting 3- and 4-Ph substituted compounds, among which the most stable are the 2-pyrazolin-5-one and 1-pyrazolin-3-one forms, resp. The influence of the substituents on the quantities characterizing the electronic structure is discussed.

Journal of Molecular Structure: THEOCHEM published new progress about Dipole moment. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Application In Synthesis of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Refn, Susanne published the artcileInfrared spectra of substituted pyrazolones and some reflections on the hydrogen bonding OH. . .N, Name: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is .

Disks of KBr were used to obtain spectra for 26 crystalline 5-pyrazolones, with simple alkyl or phenyl substitution in the pyrazolone ring. The region of interest was that of O-H, N-H, and double-bond stretching frequencies. The compounds with an aromatic character show a tautomeric equilibrium between a hydroxypyrazole structure and the zwitterion of the corresponding amide form. The mols. are associated through strong intermol. H bonds. Tautomeric equilibrium constants were estimated by using the spectral data and the known basic ionization constants

Spectrochimica Acta published new progress about Hydrogen bond. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Name: 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Taylor, Scott D. published the artcileA Fresh Look at the Staudinger Reaction on Azido Esters: Formation of 2H-1,2,3-Triazol-4-ols from α-Azido Esters Using Trialkyl Phosphines, Computed Properties of 27412-71-1, the main research area is triazolol preparation; azido acid ester preparation reaction phosphine.

Ph esters of α-azido acids react with trialkylphosphines in THF/H2O to give 5-substituted 2H-1,2,3-triazol-4-ols in good to excellent yields. In contrast, their reaction with PPh3 in THF/H2O give the amino esters as the major product and no triazoles. Reaction between an α-azido Ph ester and P(OEt)3 provided the corresponding phosphoramidate in excellent yield, but no triazole was formed. The authors warn that 5,5-diphenyl-3,5-dihydro-4H-1,2,3-triazol-4-one and 1,2,3-triazaspiro[4.4]non-1-en-4-one decompose explosively at higher temperatures

Organic Letters published new progress about Crystal structure. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Computed Properties of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ucuncu, Muhammed published the artcileA rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study, Quality Control of 27412-71-1, the main research area is propiolic acid pyrazolone intramol cyclization; pyranopyrazole preparation chemoselective fluorescence reaction kinetics mechanism DFT.

Drawing upon a consecutive amide coupling and intramol. cyclization pathway, a one-pot, straightforward synthetic route was developed for a range of pyrazole fused γ-pyrone derivatives The reaction mechanism proposed for the chemoselective formation of γ-pyranopyrazole was furthermore fully supported by exptl. and computational studies.

Organic & Biomolecular Chemistry published new progress about Activation energy. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Quality Control of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Terent’ev, Alexander O. published the artcileSelective Oxidative Coupling of 3H-Pyrazol-3-ones, Isoxazol-5(2H)-ones, Pyrazolidine-3,5-diones, and Barbituric Acids with Malonyl Peroxides: An Effective C-O Functionalization, Application In Synthesis of 27412-71-1, the main research area is pyrazolone isoxazolone pyrazolidinedione barbituric acid malonyl peroxide oxidative coupling.

Oxidative functionalization of 3H-pyrazol-3-ones, isoxazol-5(2H)-ones, pyrazolidine-3,5-diones, and barbituric acids by malonyl peroxides results exclusively in C-O coupling products. Traditional hydroxylation, formation of carbonyl groups, or oxidative destruction of the heterocyclic ring are not observed Under optimized reactions conditions – fluorinated alcs. as activating medium and at room temperature (20 – 25°) – the selective C-O coupling proceeds in high yields (up to 94 %). The oxidative insertion into the enolizable C-H bond of the substrate is mechanistically viewed as a nucleophilic attack by the heterocycle onto the electrophilically activated malonyl peroxides. For heterocyclic substrates with an active methylene group – 3H-pyrazol-3-ones, isoxazol-5(2H)-ones, and barbituric acids – both C-H bonds are oxidized to afford double oxidative C-O coupling products in good yields (up to 72 %).

ChemistrySelect published new progress about C-O bond formation. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Application In Synthesis of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Kolodyazhna, Tatiana I. published the artcileSome Aspects of 4H-Pyrans Synthesis Based on 4-Chloro-1-ethyl-1H-benzo[c][1,2]thiazine-3-carbaldehyde 2,2-dioxide: Antimicrobial Activity of the Compounds Synthesized, Quality Control of 27412-71-1, the main research area is sigma linked benzopyrazolopyranothiazine dioxide preparation antibacterial antifungal.

A three-component interaction of 4-chloro-1-ethyl-1H-benzo[c][1,2]thiazine-3-carbaldehyde 2,2-dioxide with malononitrile and enol nucleophiles of heterocyclic nature has been studied. Depending on the nature of an enol nucleophile this reaction can lead either to heterocyclic ensemble of σ-linked 4-chloro-1-ethyl-1H-benzo[c][1,2]thiazine 2,2-dioxide and 2-amino-4H-pyran rings or condensed tetracyclic derivatives containing a new heterocyclic core of 7,10-dihydro-5H-benzo[c]pyrazolo[4′,3′:5,6]pyrano[2,3-e][1,2]thiazine 6,6-dioxide. The same result was obtained in the case of two-component approach involving 2-((4-chloro-1-ethyl-2,2-dioxido-1H-benzo[c][1,2]thiazin-3-yl)methylene)malononitrile. The structure of the tetracyclic derivatives has been confirmed by 2D NMR experiments A plausible mechanism of the three-component interaction resulting in the two possible products has been proposed. The synthesized compounds were screened for in vitro antibacterial and antifungal activities.

ChemistrySelect published new progress about Antibacterial agents. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Quality Control of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Selwood, David L. published the artcileSynthesis and Biological Evaluation of Novel Pyrazoles and Indazoles as Activators of the Nitric Oxide Receptor, Soluble Guanylate Cyclase, HPLC of Formula: 27412-71-1, the main research area is pyrazole indazole preparation activator nitric oxide receptor guanylate cyclase; guanylate cyclase activator dimethylaminopropyloxy pyrazole derivative; benzydamine analog preparation potent inhibitor platelet aggregation.

Database searching and compound screening identified 1-benzyl-3-(3-dimethylaminopropyloxy)indazole (benzydamine) as a potent activator of the nitric oxide receptor, soluble guanylate cyclase. A comprehensive structure-activity relationship study surrounding benzydamine clearly showed that the indazole C-3 dimethylaminopropyloxy substituent was critical for enzyme activity. However replacement of the indazole ring of benzydamine by appropriately substituted pyrazoles maintained enzyme activity. Compounds were evaluated for inhibition of platelet aggregation and showed a general lipophilicity requirement. Aryl-substituted pyrazoles I (R = CH2Ph, R1 = CONHC6H4OMe-p; R = CH2Ph, R1 = Ph; R = Ph, R1 = Ph) demonstrated potent activation of soluble guanylate cyclase and potent inhibition of platelet aggregation. Pharmacokinetic studies in rats showed that I (R = CH2Ph, R1 = CONHC6H4OMe-p) exhibits modest oral bioavailability (12%). Furthermore I (R = CH2Ph, R1 = CONHC6H4OMe-p) has an excellent selectivity profile notably showing no significant inhibition of phosphodiesterases or nitric oxide synthases.

Journal of Medicinal Chemistry published new progress about Drug bioavailability. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, HPLC of Formula: 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Johnson, Matthew P. published the artcileAzo dienophiles. Diels-Alder reactions of 4-phenyl-1,2,4-triazole-3,5-dione and 5-phenylpyrazol-3-one with functionalized dienes, Recommanded Product: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is Diels Alder phenyltriazoledione phenylpyrazolone diene; triazoledione phenyl Diels Alder diene; pyrazolone phenyl Diels Alder diene; regioselectivity Diels Alder phenylpyrazolone acetoxybutadiene.

The title triazoledione (I) underwent Diels-Alder reactions with a variety of dienes. E.g., reaction of [ICH2C(:CH2)]2 with I in CH2Cl2 at -50° for 15 min then -20° overnight gave 60% adduct II (R = R3 = iodo, R1R2 = bond) (III). Reduction of III with a Zn-Cu couple gave 97% II (RR1 = R2R3 = bond) which in turn reacted with a variety of dienophiles, including I, in a tandem Diels-Alder reaction. 5-Phenylpyrazol-3-one, generated in situ by oxidation of the corresponding pyrazolinone with Pb(OAc)4, also underwent a variety of Diels-Alder reactions, including regioselective reaction with AcOCH:CHCH:CH2 in CH2Cl2 to give 67% pyrazolopyridazine IV.

Journal of the Chemical Society, Perkin Transactions 12: Organic and Bio-Organic Chemistry published new progress about Diels-Alder reaction. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Recommanded Product: 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Elfahham, Hassan Attia published the artcileNovel synthesis of pyrazolo[5,1-c]-1,2,4-triazoles, imidazo[1,2-b]pyrazoles, and [1,2,4]-triazolo[4,3-a]benzimidazoles. Reaction of nitrile imines with amino- and oxo-substituted diazoles, Safety of 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is pyrazolotriazole; imidazopyrazole; triazolobenzimidazole; hydrazonyl chloride condensation cyclization diazole.

RCCl:NNHPh (I; R = Ph, COMe) reacted with cyclic amidines and azolones to give condensation products. In some cases intramol. cyclocondensation occurred to give the title heterocyclic compounds E.g., reaction of antipyrine II (R = H) with I (R = Ph) in refluxing EtOH containing Et3N for 3 h gave 86% II (R = CPh:NNHPh) whereas reaction of I (R = COMe) with pyrazole III under the above conditions gave 91% pyrazolotriazole IV.

Journal of the Chemical Society, Perkin Transactions 11: Organic and Bio-Organic Chemistry published new progress about Condensation reaction. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Safety of 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics