Category: pyrazoles-derivatives

Mo, Zong-Wen published the artcileTuning Connectivity and Flexibility of Two Zinc-Triazolate-Carboxylate Type Porous Coordination Polymers, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine, the publication is Crystal Growth & Design (2018), 18(5), 2694-2698, database is CAplus.

Solvothermal reactions of Zn(II) salts and 4-(1H-pyrazol-4-yl)pyridine (Hpypz) in the presence of monocarboxylate or dicarboxylate ligands produced two porous coordination polymers, namely, [Zn(pypz)(OAc)]·guest (1·g, HOAc = acetic acid) and [Zn₂(pypz)₂(oba)]·guest (2·g, H₂oba = 4,4′-oxobisbenzoic acid). Single-crystal x-ray diffraction analyses showed that both 1 and 2 contain 2-fold interpenetrated three-dimensional nbo-a {Zn(pypz)}⁺ networks consisting of 3-connected Zn(II) ions and 3-connected pypz^– ligands. After the carboxylate ligands were considered, 1 retains the nbo-a network structure and contains one-dimensional channels with very narrow apertures. However, 2 becomes a new uninodal 6-connected topol. (point symbol 3³.4².5⁶.6⁴) and contains discrete pores. Powder x-ray diffraction showed that, after solvent removal, 1 undergoes obvious framework shrinkage, while 2 retains the original unit cell. Activated 1 and 2 both exclude N₂ at 77 K, but readily adsorb CO₂ at 195 K with unconventional isotherm shapes, indicating the different types of framework flexibilities.

Crystal Growth & Design published new progress about 19959-71-8. 19959-71-8 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Pyridine, name is 4-(1H-Pyrazol-4-yl)pyridine, and the molecular formula is C8H7N3, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine.

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

Bie, Hong-Yan published the artcileCrystal structure of (4Z)-4-((2-(methylamino)phenylamino)(phenyl)methylene)- 3-methyl-1-phenyl-1H-pyrazol-5-(4H)-one, C₂₄H₂₂N₄O, Application In Synthesis of 4551-69-3, the publication is Zeitschrift fuer Kristallographie – New Crystal Structures (2014), 229(1), 17-18, database is CAplus.

The crystal structure of the title compound is herein given. The title compound was synthesized from of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone and N-methylbenzene-1,2-diamine. The Schiff base has a Z configuration about the double bound and shows hydrogen bonding.

Zeitschrift fuer Kristallographie – New Crystal Structures 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 In Synthesis of 4551-69-3.

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

Rong, Deqin published the artcileStructure-Aided Design, Synthesis, and Biological Evaluation of Potent and Selective Non-Nucleoside Inhibitors Targeting Protein Arginine Methyltransferase 5, Application In Synthesis of 930-36-9, the publication is Journal of Medicinal Chemistry (2022), 65(11), 7854-7875, database is CAplus and MEDLINE.

PRMT5 is a major type II protein arginine methyltransferase and plays important roles in diverse cellular processes. Overexpression of PRMT5 is implicated in various types of cancer. Many efforts have been made to develop potent and selective PRMT5 inhibitors, the most potent of which is usually derived from nucleoside structures. Here, we designed a novel series of non-nucleoside PRMT5 inhibitors through the structure-aided drug design approach. SAR exploration and metabolic stability optimization led to the discovery of compound 41 as a potent PRMT5 inhibitor with good selectivity. Addnl., compound 41 exerted antiproliferative effects against A375 cells by inducing apoptosis and potently inhibited the methyltransferase activity of PRMT5 in cells. Moreover, it showed attractive pharmacokinetic properties and markedly suppressed the tumor growth in an A375 tumor xenograft model. These results clearly indicate that 41 is a highly potent and selective non-nucleoside PRMT5 inhibitor.

Journal of Medicinal Chemistry 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, Application In Synthesis of 930-36-9.

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

Yu, Jiang published the artcileDiscovery and biological evaluation of darolutamide derivatives as inhibitors and down-regulators of wild-type AR and the mutants, Product Details of C10H6ClN3, the publication is European Journal of Medicinal Chemistry (2019), 111608, database is CAplus and MEDLINE.

Androgen receptor (AR) has been a target of prostate cancer (PC) for nearly six decades. Recently, down-regulating or degrading AR and the mutants especially the splice variant 7 (AR-V7) lacking ligand binding domain (LBD) emerged as an advantageous therapeutic approach to overcome drug resistance. Here, the structural modification of darolutamide resulted in the discovery of dual-action AR inhibitors and down-regulators. Unlike other traditional AR antagonists targeting the AR-LBD, compounds 4k and 4b not only inhibit the activities of wt-AR and AR-F876L mutant but also down-regulate the protein expression of full-length (AR-full) and AR variant 7 (AR-V7) at mRNA level. In cell proliferation assays, compounds 4k and 4b exhibited better antiproliferative activities than darolutamide and enzalutamide against AR-V7-pos. 22Rv1 cells and VCaP cells. In addition, 4k demonstrated better antitumor activity than clin. used enzalutamide in castration-resistant VCaP xenograft model. Collectively, combining the activities of AR inhibition and down-regulation, compound 4k is proposed as an advantageous lead compound to disrupt AR signaling and overcome resistance.

European Journal of Medicinal Chemistry published new progress about 1297537-37-1. 1297537-37-1 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Chloride,Nitrile,Benzene, name is 2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile, and the molecular formula is C14H20BNO3, Product Details of C10H6ClN3.

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

Zhao, Xiao-Yun published the artcileSynthesis and characterization of N-heterocyclic carbene-palladium(II) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C-N coupling of aryl chlorides, Category: pyrazoles-derivatives, the publication is RSC Advances (2016), 6(29), 24484-24490, database is CAplus.

A series of N-heterocyclic carbene-palladium(II) chlorides-1-methylindazole and -1-methylpyrazole complexes was successfully synthesized and fully characterized by x-ray single crystal diffraction. In addition, initial investigations of their catalytic activity showed that they were efficient catalysts in the C-N coupling of primary and secondary amines with aryl chlorides at low catalyst loadings.

RSC Advances 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 C27H29N5, Category: pyrazoles-derivatives.

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

Liu, Jiang published the artcileRing-opening copolymerization of CHO and MA catalyzed by the asymmetrical Cr(III)-bis-Schiff-base complex, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Inorganic Chemistry Communications (2017), 86-88, database is CAplus.

Using an asym. Cr(III)-bis-Schiff-base complex [Cr(L)Cl] (1; H₂L obtained from condensation of 5-bromo-salicylaldehyde and HL⁰ (Z)-4-((2-aminophenylimino)(phenyl)methyl)-3-methyl-1H-pyrazol-5(4H)-one) as the catalyst, bulk solvent-free ring-opening copolymerization of CHO (cyclohexene oxide) and MA (maleic anhydride) in the presence of cocatalyst DMAP (4-(dimethylamino)-pyridine) was effectively realized, in which, on the condition of low 1/DMAP concentration for a controllable polymerization, perfectly alternating polyester while not poly(ester-coether) could be obtained.

Inorganic Chemistry Communications 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

Tang, Cheng-Ke published the artcileCombining Organocatalysis and Iodine Catalysis: One-Pot Sequential Catalytic Synthesis of Chiral Spirodihydrobenzofuran Pyrazolones and Spirodihydrobenzofuran Oxindoles, Formula: C10H9ClN2O, the publication is Organic Letters (2018), 20(18), 5840-5844, database is CAplus and MEDLINE.

O-Hydroxystyrenes such as (E)-2-HOC₆H₄CH:CHNO₂ underwent diastereoselective and enantioselective oxidative spirocyclization reactions (via sequential Michael addition, iodination, and cyclization reactions) with pyrazolones and N-Boc oxindoles in the presence of a nonracemic squaramide and a nonracemic alkaloid-derived thiourea to give spirobenzofuranpyrazolones such as I and spirobenzofuranoxindoles such as II, resp.

Organic Letters 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 CBF6K, Formula: C10H9ClN2O.

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

Song, Zongqiang published the artcileSynthesis of 1,3-Dioxepine-Fused (Tricyclic) Bispyrazoles Involved with Pyrazolone Derivatives and Dichloromethane, Application of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Journal of Organic Chemistry (2022), 87(6), 4284-4290, database is CAplus and MEDLINE.

A simple and novel method was described for the synthesis of novel 1,3-dioxepine-fused (tricyclic) bispyrazoles I (R = H, Me, t-Bu, Cl, etc.; R¹ = H; RR¹ = -CH=CH-CH=CH-; R² = Me, CF₃, i-Pr, Ph; R³ = H, Me). It involves a Cs₂CO₃ mediated O-alkylation of readily available pyrazolone derivatives II with dichloromethane as methylene source followed by PhI(OAc)₂-mediated intramol. oxidative biheteroaryl coupling under mild conditions. This scalable protocol was applied for the preparation of valuable and novel 1,3-dioxepine-fused (tricyclic) bispyrazoles I which could find potential applications in medicinal or material chem.

Journal of Organic 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 C10H19NO3, Application of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

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

Goeksu, Haydar published the artcileHighly efficient and monodisperse graphene oxide furnished Ru/Pd nanoparticles for the dehalogenation of aryl halides via ammonia borane, Recommanded Product: 1-Methylpyrazole, the publication is ChemistrySelect (2016), 1(5), 953-958, database is CAplus.

Highly monodisperse graphene oxide-supported Ru/Pd nanoparticles (RuPd@GO NPs) was reproducibly and easily synthesized by microwave assisted method. RuPd@GO NPs were performed for dehalogenation of arylhalides in the presence of ammonia borane in a mild condition as novel, highly efficient and exceptional reusable heterogeneous catalyst. The novel materials were characterized by transmission electron microscopy (TEM), the high resolution electron micrograph (HRTEM), X-ray diffraction (XRD) and XPS. The results showed that the prepared catalysts were highly crystalline, monodisperse and colloidally stable. The current one-pot catalytic process was described as a new methodol. for dehalogenation of arylhalides which was assessed as a quite simple, eco-friendly and highly efficient as well as exceptional reusable. All products were provided with one of the highest yield and the shortest time in the presence of novel RuPd@GO NPs due to the the synergistic effect of Ru and Pd. Synthesis process comes with a facile and eco-friendly option to RuPd@GO NPs, allowed further scrutiny of current catalysts for numerous other chem. reactions.

ChemistrySelect 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, Recommanded Product: 1-Methylpyrazole.

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

Duan, Yongbin published the artcileDesign, synthesis and biological evaluation of benzothiazoles as highly potent ROCK inhibitors through molecular docking and free energy calculations, Category: pyrazoles-derivatives, the publication is Gaodeng Xuexiao Huaxue Xuebao (2017), 38(9), 1568-1577, database is CAplus.

Rock has been considered to provide a pharmacol. strategy for preventing and treating multiple sclerosis, pulmonary hypertension, glaucoma, cardiovascular disease, erectile dysfunction and cancer. With 3 previously reported and benzothiazole-based ROCK inhibitors (1-3) as the research targets, the structure-activity relationship (SAR) was preliminary revealed from amino acid level by mol. docking after obtaining the stable ROCK2-ligand complexes in the binding pocket through mol. dynamic simulations. Then MM/GBSA free energy calculations of compounds 1-3 showed that there was good correlation between binding affinity (ΔG_bind) and inhibitory activities, and van der Waals interaction (ΔG_VDW) contributing to ΔG_bind most. And the key amino acids with outstanding contribution for high inhibition were obtained through free energy anal. Finally, 3 series of benzothiazoles (D1-D10) were designed according to the results of mol. docking and free energy calculations In the biol. evaluation, compounds D1-D10 exhibited 2-105 nmol/L IC₅₀ values against ROCK2 and 11-288 nmol/L IC₅₀ values against ROCK1. Compounds D3-D5 exhibited higher metabolic stability than reported compounds 1 and 3 in human liver microsome studies. This work not only gave theor. guidance for the design of highly potent ROCK, but also offered a series of highly active ROCK inhibitors with intellectual property right for fundamental research and application of ROCK.

Gaodeng Xuexiao Huaxue Xuebao 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, Category: pyrazoles-derivatives.

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