Tag: M.W=200-250

Zhang, Xin-Ke published the artcileIodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones via methyl azaarene sp³ C-H functionalization, Synthetic Route of 14580-22-4, the publication is Organic & Biomolecular Chemistry (2022), 20(6), 1236-1242, database is CAplus and MEDLINE.

An iodine-catalyzed Me azaarene sp³ C-H functionalization has been developed for the synthesis of a seven-membered O-heterocyclic architecture containing three different heterocyclic aromatic hydrocarbons. This method can be applied to a wide range of substituted Me azaarenes and diverse 2,4-dihydro-3H-pyrazol-3-ones, and brings about the efficient preparation of 2,9-dihydrooxepino[2,3-c:6,5-c’]dipyrazol-3(7H)-ones in high yields with the merits of low catalyst loading, good functional group tolerance and metal-free conditions.

Organic & Biomolecular Chemistry published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C7H10BNO3, Synthetic Route of 14580-22-4.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

London, Nir published the artcileCovalent docking of large libraries for the discovery of chemical probes, SDS of cas: 1072945-88-0, the publication is Nature Chemical Biology (2014), 10(12), 1066-1072, database is CAplus and MEDLINE.

Chem. probes that form a covalent bond with a protein target often show enhanced selectivity, potency and utility for biol. studies. Despite these advantages, protein-reactive compounds are usually avoided in high-throughput screening campaigns. Here we describe a general method (DOCKovalent) for screening large virtual libraries of electrophilic small mols. We apply this method prospectively to discover reversible covalent fragments that target distinct protein nucleophiles, including the catalytic serine of AmpC β-lactamase and noncatalytic cysteines in RSK2, MSK1 and JAK3 kinases. We identify submicromolar to low-nanomolar hits with high ligand efficiency, cellular activity and selectivity, including what are to our knowledge the first reported reversible covalent inhibitors of JAK3. Crystal structures of inhibitor complexes with AmpC and RSK2 confirm the docking predictions and guide further optimization. As covalent virtual screening may have broad utility for the rapid discovery of chem. probes, we have made the method freely available through an automated web server (http://covalent.docking.org/).

Nature Chemical Biology published new progress about 1072945-88-0. 1072945-88-0 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is 1-(3-Chlorophenyl)pyrazole-4-boronic acid, and the molecular formula is C9H8BClN2O2, SDS of cas: 1072945-88-0.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Maurya, R. C. published the artcilePreparation and characterization of some novel cyanonitrosyl {CrNO}⁵ complexes of chromium involving biologically important 2-pyrazoline-5-one derivatives, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is National Academy Science Letters (India) (1992), 15(9), 299-301, database is CAplus.

[Cr(NO)(CN)₂(L)₂(H₂O)] (L = 1-(2′-chlorophenyl)-, 1-(4′-tolyl)-, or 1-(4′-nitrophenyl)-, and 1-(4′-sulfophenyl)-3-methyl-2-pyrazolin-5-one) were isolated as solids by the interaction of K₃[Cr(NO)(CN)₅].H₂O with L. The complexes, which were characterized by elemental anal., magnetic measurements, molar conductances, TGA, ESR and IR spectral studies, contain chromium(I) in a low-spin d⁵-configuration. An octahedral structure is proposed for the complexes.

National Academy Science Letters (India) published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ozaki, Toyoko published the artcileSolvent extraction of zinc with 1-(2′-chlorophenyl)-3-methyl-4-aroyl-5-pyrazolones, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Analytica Chimica Acta (1989), 226(1), 187-92, database is CAplus.

1-(2′-Chlorophenyl)-3-methyl-4-aroyl-5-pyrazolone derivatives were synthesized and steric effects of the 2-chlorophenyl group on the acid dissociation constants and the solvent extraction reaction of Zn were studied. Steric effects on the synergic extraction of Zn with trioctylphosphine oxide were also examined

Analytica Chimica Acta published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Zhang, Xin-Ke published the artcileIodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones via methyl azaarene sp³ C-H functionalization, Synthetic Route of 14580-22-4, the publication is Organic & Biomolecular Chemistry (2022), 20(6), 1236-1242, database is CAplus and MEDLINE.

An iodine-catalyzed Me azaarene sp³ C-H functionalization has been developed for the synthesis of a seven-membered O-heterocyclic architecture containing three different heterocyclic aromatic hydrocarbons. This method can be applied to a wide range of substituted Me azaarenes and diverse 2,4-dihydro-3H-pyrazol-3-ones, and brings about the efficient preparation of 2,9-dihydrooxepino[2,3-c:6,5-c’]dipyrazol-3(7H)-ones in high yields with the merits of low catalyst loading, good functional group tolerance and metal-free conditions.

Organic & Biomolecular Chemistry published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C7H10BNO3, Synthetic Route of 14580-22-4.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

London, Nir published the artcileCovalent docking of large libraries for the discovery of chemical probes, SDS of cas: 1072945-88-0, the publication is Nature Chemical Biology (2014), 10(12), 1066-1072, database is CAplus and MEDLINE.

Chem. probes that form a covalent bond with a protein target often show enhanced selectivity, potency and utility for biol. studies. Despite these advantages, protein-reactive compounds are usually avoided in high-throughput screening campaigns. Here we describe a general method (DOCKovalent) for screening large virtual libraries of electrophilic small mols. We apply this method prospectively to discover reversible covalent fragments that target distinct protein nucleophiles, including the catalytic serine of AmpC β-lactamase and noncatalytic cysteines in RSK2, MSK1 and JAK3 kinases. We identify submicromolar to low-nanomolar hits with high ligand efficiency, cellular activity and selectivity, including what are to our knowledge the first reported reversible covalent inhibitors of JAK3. Crystal structures of inhibitor complexes with AmpC and RSK2 confirm the docking predictions and guide further optimization. As covalent virtual screening may have broad utility for the rapid discovery of chem. probes, we have made the method freely available through an automated web server (http://covalent.docking.org/).

Nature Chemical Biology published new progress about 1072945-88-0. 1072945-88-0 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is 1-(3-Chlorophenyl)pyrazole-4-boronic acid, and the molecular formula is C9H8BClN2O2, SDS of cas: 1072945-88-0.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Maurya, R. C. published the artcilePreparation and characterization of some novel cyanonitrosyl {CrNO}⁵ complexes of chromium involving biologically important 2-pyrazoline-5-one derivatives, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is National Academy Science Letters (India) (1992), 15(9), 299-301, database is CAplus.

[Cr(NO)(CN)₂(L)₂(H₂O)] (L = 1-(2′-chlorophenyl)-, 1-(4′-tolyl)-, or 1-(4′-nitrophenyl)-, and 1-(4′-sulfophenyl)-3-methyl-2-pyrazolin-5-one) were isolated as solids by the interaction of K₃[Cr(NO)(CN)₅].H₂O with L. The complexes, which were characterized by elemental anal., magnetic measurements, molar conductances, TGA, ESR and IR spectral studies, contain chromium(I) in a low-spin d⁵-configuration. An octahedral structure is proposed for the complexes.

National Academy Science Letters (India) published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ozaki, Toyoko published the artcileSolvent extraction of zinc with 1-(2′-chlorophenyl)-3-methyl-4-aroyl-5-pyrazolones, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Analytica Chimica Acta (1989), 226(1), 187-92, database is CAplus.

1-(2′-Chlorophenyl)-3-methyl-4-aroyl-5-pyrazolone derivatives were synthesized and steric effects of the 2-chlorophenyl group on the acid dissociation constants and the solvent extraction reaction of Zn were studied. Steric effects on the synergic extraction of Zn with trioctylphosphine oxide were also examined

Analytica Chimica Acta published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Pandit, Rameshwar Prasad published the artcileEfficient one-pot synthesis of novel and diverse tetrahydroquinolines bearing pyranopyrazoles using organocatalyzed domino Knoevenagel/hetero Diels-Alder reactions, Formula: C10H9ClN2O, the publication is Molecular Diversity (2014), 18(1), 39-50, database is CAplus and MEDLINE.

A new synthetic route to biol. interesting diverse tetrahydroquinoline derivatives bearing pyranopyrazole groups was developed and the synthesis of the target compounds was achieved by a reaction of pyrazolones and N,N-dialkylated aminobenzaldehyde derivatives in the presence of 1,2-Ethanediamine acetate (1:2) (EDDA, ethylenediammonium diacetate). The key strategy underlying the methodol. used was the domino Knoevenagel/hetero Diels-Alder reaction. This synthetic method provides a variety of novel tetrahydroquinolines in good yields. The title compounds thus formed included a heterocyclic compound (I) and related substances. The synthesis of the target compounds was achieved by a reaction of 2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one derivatives with 2-[methyl(3-methyl-2-buten-1-yl)amino]benzaldehyde (prenylamine derivative), 2-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]methylamino]benzaldehyde (trans-geranylamine derivative), 2-[methyl[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]amino]benzaldehyde (trans,trans-farnesylamine derivative).

Molecular Diversity published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Formula: C10H9ClN2O.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Li, Chengxi published the artcileChemo- and regioselective defluorinative annulation of (trifluoromethyl)alkenes with pyrazolones: synthesis and insecticidal activity of 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles, Formula: C10H9ClN2O, the publication is Organic Chemistry Frontiers (2022), 9(17), 4692-4698, database is CAplus.

The chemo- and regioselective defluorinative [3 + 3] annulation of (trifluoromethyl)alkenes and pyrazolones was reported that gives rise to various useful 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles I [R = Ph, 4-MeC₆H₄, 4-ClC₆H₄, etc.; R¹ = Ph, 3-MeC₆H₄, 4-ClC₆H₄, etc.; R² = Me, Et, Bn, etc.] in high yields. This reaction distinguished the different nucleophilic sites of pyrazolones and featured mild conditions, a broad substrate scope, and gram-scalability. A simple derivation of the obtained 6-fluoro-1,4-dihydropyrano[2,3-c]pyrazoles efficiently afforded diverse useful compounds Significantly, compound I [R = 4-F₃CC₆H₄, R¹ = 2-ClC₆H₄, R² = Me] exhibited up to 100% insecticidal activity against Plutella xylostella, which was a destructive pest worldwide. Mechanism studies indicated that this reaction proceeded via a chemo- and regioselective S_N2’/S_NV pathway and that the double defluorinative alkylation of pyrazolones with (trifluoromethyl)alkenes was completely inhibited.

Organic Chemistry Frontiers published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Formula: C10H9ClN2O.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics