Day: November 21, 2022

Maiwald, Martin M. published the artcileThe complexation of neptunium(V) with fluoride at elevated temperatures: Speciation and thermodynamics, Category: pyrazoles-derivatives, the publication is Applied Geochemistry (2019), 10-18, database is CAplus.

The complexation of NpO⁺2 with fluoride is studied in aqueous solution using Vis/NIR absorption spectroscopy. The total ligand concentration (NaF), ionic strength (NaClO₄), and temperature (T = 20-85°C) is varied, yielding detailed information on the thermodn. of the complexation reaction. Two distinct complex species (NpO₂F^1-nn, n = 1, 2) are identified by peak deconvolution of the absorption spectra. At 20°C and I_m = 1.0 the absorption band of NpO₂F is located at 983.8 ± 0.2 nm. The absorption band of the NpO₂F^–2 complex is located at 988.4 ± 0.2 nm. With increasing temperature and ionic strength the chem. equilibrium of the complexation reaction shifts towards the complexed Np(V) species. The conditional stability constants log β’_n(T) are calculated according to the law of mass action and are extrapolated to I_m = 0 for each temperature with the specific ion interaction theory (SIT). The determined log β⁰n(T) values increase by 0.2-0.6 in the studied temperature range. Furthermore, the log β⁰n(T) values correlate linearly with the reciprocal temperature and fitting the data according to the integrated Van’t Hoff equation yields the standard reaction enthalpies (Δ_rH⁰m) and entropies (Δ_rS⁰m).

Applied Geochemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Category: pyrazoles-derivatives.

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

Saida, Keraghel published the artcile4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(6), o1909-o1910, database is CAplus and MEDLINE.

In the title compound, C₂₃H₁₉N₃O₂, the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6), 60.96 (4) and 57.01 (4)°. The ligand is in the enamine-keto form and its structure is stabilized by an intramol. N-H···O hydrogen bond. In the crystal, O-H···N hydrogen bonds link mols. into chains parallel to [01-1]. Crystallog. data are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

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

Azad, Abul K. published the artcileFGD5 regulates endothelial cell PI3 kinase-β to promote neo-angiogenesis, COA of Formula: C22H21N3O3S, the publication is FASEB Journal (2022), 36(1), e22080, database is CAplus and MEDLINE.

Angiogenesis is required in embryonic development and tissue repair in the adult. Vascular endothelial growth factor (VEGF) initiates angiogenesis, and VEGF or its receptor is targeted therapeutically to block pathol. angiogenesis. Addnl. pro-angiogenic cues, such as CXCL12 acting via the CXCR4 receptor, cooperate with VEGF/VEGFR2 to cue vascular patterning. We studied the role of FGD5, an endothelial Rho GTP/GDP exchange factor (RhoGEF), to regulate CXCR4-dependent signals in the endothelial cell (EC). Patient-derived renal cell carcinomas produce a complex milieu of growth factors that stimulated sprouting angiogenesis and endothelial tip cell differentiation ex vivo that was blocked by EC FGD5 loss. In a simplified model, CXCL12 augmented sprouting and tip gene expression under conditions where VEGF was limiting. CXCL12-stimulated tip cell differentiation was dependent on PI3 kinase (PI3K)-β activity. Knockdown of EC FGD5 abolished CXCR4 signaling to PI3K-β and Akt. Further, inhibition of Rac1, a Rho GTPase required for PI3K-β activity, recapitulated the signaling defects of FGD5 deficiency, suggesting that FGD5 may regulate PI3K-β activity through Rac1. Overexpression of a RhoGEF deficient, Dbl domain-deleted FGD5 mutant reduced CXCL12-stimulated Akt phosphorylation and failed to rescue PI3K signaling in native FGD5-deficient EC, indicating that FGD5 RhoGEF activity is required for FDG5 function. Endothelial expression of mutant PI3K-β with an inactivated Rho binding domain confirmed that CXCL12-stimulated PI3K activity in EC requires Rac1-GTP co-regulation. Together, this data identify the role of FGD5 to generate Rac1-GTP to regulate pro-angiogenic CXCR4-dependent PI3K-β signaling in EC. Inhibition of FGD5 activity may complement current angiogenesis inhibitor drugs.

FASEB Journal published new progress about 71203-35-5. 71203-35-5 belongs to pyrazoles-derivatives, auxiliary class GPCR/G Protein,Ras, name is 4-(5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C22H21N3O3S, COA of Formula: C22H21N3O3S.

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

Zhang, Pengfei published the artcileSynthesis, crystal structure and quantum chemistry calculation of two novel compounds derived from amino-phenol, Synthetic Route of 4551-69-3, the publication is Asian Journal of Chemistry (2014), 26(18), 6176-6184, database is CAplus.

Two novel compounds [(Z)-3-(2-hydroxy-4-methylphenylimino)indolin-2-one][methanol] (A) and 4-[(Z)-(3-hydroxy-4-methoxyphenylimino)(phenyl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one (B) derived from aminophenol were synthesized and characterized by IR spectroscopy, elemental anal. and X-ray diffraction single-crystal anal. Compound A crystallized in monoclinic space group P21/c with a = 15.6637 (12) °, b = 12.3527 (9) °, c = 7.4461 (6) °, α = 90°, β = 100.9460 (10)°, γ = 90°, V = 1414.53 (19) nm³, Z = 4, F (000) = 600, S = 1.055, R₁ = 0392, wR₂ = 0.0967. Compound B crystallized in triclinic, space group P-1 with a = 8.8111 (9) °, b = 11.4716 (12) °, c = 11.4947 (14) °, α = 115.376 (2)°, β = 99.5470 (10)°, γ = 97.6320 (10)°, V = 1007.74 (19) nm³, Z = 2, F (000) = 420, S = 1.046, R₁ = 0.0643, wR₂ = 0.1479. Theor. studies of compounds A and B were carried out by d. functional theory B3LYP method. The results showed that N (1), O (1) and O (2) of compound A and N (3), O (1) and O (2) of compound B were major active sites. Furthermore, N (1) in compound A was preferentially attacked by nucleophilic, followed by the N (3) in compound B. The theor. studies showed that compound A may have higher biol. activity, such as anti-proliferative activity, compared with compound B. The result might be because that compound A was Schiff base and compound B showed proton transfer and tautomerism.

Asian Journal of Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C44H28ClFeN4, Synthetic Route of 4551-69-3.

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

Bryan, Marian C. published the artcileN-substituted azaindoles as potent inhibitors of Cdc7 kinase, Category: pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(7), 2056-2060, database is CAplus and MEDLINE.

Cdc7 kinase is responsible for the initiation and regulation of DNA replication and was proposed as a target for cancer therapy. We have identified a class of Cdc7 inhibitors based on a substituted indole core. Synthesis of focused indole and azaindole analogs yielded potent and selective 5-azaindole Cdc7 inhibitors with improved intrinsic metabolic stability (ie 36). In parallel, quantum mech. conformational anal. helped to rationalize SAR observations, led to a proposal of the preferred binding conformation in the absence of co-crystallog. data, and allowed the design of 7-azaindole 37 as a second lead in this series.

Bioorganic & Medicinal Chemistry Letters published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Category: pyrazoles-derivatives.

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

Elnagdi, Mohamed H. published the artcilePyrimidine derivatives and related compounds. I. Synthesis of some 2,3-disubstituted-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine derivatives, Name: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, the publication is Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie (1975), 30B(9-10), 778-83, database is CAplus.

The 5-aminopyrazole derivatives I (R = PhN:N, R1 = Ph; R = PhN:NCO2Et, R1 = Me) react with H2C:CHCN to yield the corresponding 1-β-cyanoethyl-5-aminopyrazole derivatives, which were readily cyclised into the corresponding pyrazolo[1,5-a]pyrimidines II (R2 = H). Under similar conditions I failed to react with methylacrylonitrile or Me methactylate. When the reaction of I with these reagents was conducted in ethanolic NaOEt, the II (R2 = Me) were formed. Structures of resulting products was established by their synthesis via interaction of β-cyanoethylhydrazine and β-cyanopropylhydrazine with the appropriate β-bifunctional nitrile. I (R = PhN:N, R1 = Me, Ph) also reacted with PhC:CCO2Et to yield the pyrazolo[1,5-a]pyrimidine derivatives (III).

Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie published new progress about 23286-70-6. 23286-70-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Ester, name is Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, and the molecular formula is C7H11N3O2, Name: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate.

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

Keyume, Ablajan published the artcileConvenient DABCO-catalyzed one-pot synthesis of multi-substituted pyrano[2,3-c]pyrazole dicarboxylates, Name: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Tetrahedron (2014), 70(26), 3976-3980, database is CAplus.

An efficient and simple one-pot synthesis was developed for preparation of functionalized multi-substituted 2,4-dihydro-pyrano[2,3-c]pyrazole dicarboxylates from β-keto esters, hydrazine, di-Me acetylenedicarboxylate and malononitrile in EtOH. This four-component one-pot reaction carried out in the presence of DABCO catalyst showed advantages over a one-pot three-component method in its simple procedure, high yield and low toxicity. The structures of the compounds were established on the basis of the spectroscopic data and confirmed by single crystal x-ray diffraction anal. of Me 6-amino-5-cyano-4-methoxycarbonylmethyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole dicarboxylate.

Tetrahedron 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, Name: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

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

El-Kousy, S. M. published the artcileA study on rearrangement of arylazo furanones and pyrrolinones, Application of 1,5-Diphenyl-1H-pyrazole-3-carboxylic acid, the publication is International Journal of Chemistry (Calcutta, India) (1994), 5(2), 65-75, database is CAplus.

Rearrangement of 5-phenyl-2,3-furandione 3-(phenylhydrazones) and 5-phenyl-2,3-furandione 3-[(4-chlorophenyl)hydrazones] gave 5-phenyl-1H-pyrrole-2,3-dione 3-(phenylhydrazones) and 5-phenyl-1H-pyrrole-2,3-dione 3-[(4-chlorophenyl)hydrazones]. Rearrangement of 5-phenyl-1H-pyrrole-2,3-dione 3-(phenylhydrazones) gave 1H-pyrazole-3-carboxylic acids. The oxopyrroline derivatives 4 were converted into 5 by treatment with phosphorous oxychloride. Replacement of chlorine atom in 5 was affected using aniline to give 6.

International Journal of Chemistry (Calcutta, India) published new progress about 13599-22-9. 13599-22-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid,Benzene, name is 1,5-Diphenyl-1H-pyrazole-3-carboxylic acid, and the molecular formula is C16H12N2O2, Application of 1,5-Diphenyl-1H-pyrazole-3-carboxylic acid.

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

Lapierre, Jean-Marc published the artcileDiscovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor, Application In Synthesis of 763120-58-7, the publication is Journal of Medicinal Chemistry (2016), 59(13), 6455-6469, database is CAplus and MEDLINE.

The work in this paper describes the optimization of the 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine chem. series as potent, selective allosteric inhibitors of AKT kinases, leading to the discovery of ARQ 092 (21a). The cocrystal structure of compound 21a bound to full-length AKT1 confirmed the allosteric mode of inhibition of this chem. class and the role of the cyclobutylamine moiety. Compound 21a demonstrated high enzymic potency against AKT1, AKT2, and AKT3, as well as potent cellular inhibition of AKT activation and the phosphorylation of the downstream target PRAS40. Compound 21a also served as a potent inhibitor of the AKT1-E17K mutant protein and inhibited tumor growth in a human xenograft mouse model of endometrial adenocarcinoma.

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Application In Synthesis of 763120-58-7.

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

Labroli, Marc A. published the artcileA convergent preparation of the CHK1 inhibitor MK-8776 (SCH 900776), Related Products of pyrazoles-derivatives, the publication is Tetrahedron Letters (2016), 57(24), 2601-2603, database is CAplus.

This Letter describes the development of a convergent, efficient route to the CHK1 inhibitor MK-8776, I. This synthetic approach relies upon the cyclization of a bispyrazole adduct 10 with a optically pure β-keto nitrile 9 to construct the pyrazolo[1,5-a]pyrimidine scaffold in a single step.

Tetrahedron Letters published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Related Products of pyrazoles-derivatives.

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