pyrazoles-derivatives

Ma, Xue-lin published the artcileCondensation reaction of aromatic aldehydes and 1-phenyi-3-methyl-4-benzoyl-pyrazolone catalysted by phosphotungstic acid loaded on 404 organic support, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Huaxue Shiji (2014), 36(7), 646-650, database is CAplus.

Many loaded-catalysts are applied to the Mannich reaction, but they have disadvantages such as low yield, unstability of loaded rate and asking for long time. 404 Organic support loaded phosphotungstic acid was synthesized by the reaction of 404 organic support and phosphotungstic acid in CC14. The effects of different reaction conditions on the yields were investigated. The condensation reaction of aromatic aldehydes and 1-phenyl-3-methyl-4-benzoyl-pyrazolone was catalyzed by 404 organic support loaded phosphotungstic acid. Simultaneously the products were determined by IR, ¹HNMR and elemental anal. The catalyst was provided with stable cubic crystal spatial structure and good dispersion. This protocol has advantages of stability of loaded rate, short time, mild condition, high yield, high selectivity, simple work-up, environmental friendly procedure and the catalyst can be reused.

Huaxue Shiji 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, Name: 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

Sessions, E. Hampton published the artcileBenzimidazole- and benzoxazole-based inhibitors of Rho kinase, Safety of 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2008), 18(24), 6390-6393, database is CAplus and MEDLINE.

Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P 450 inhibitions and good oral bioavailability.

Bioorganic & Medicinal Chemistry Letters 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 C6H3ClFNO2, Safety of 1H-Pyrazole-4-boronic acid.

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

Feng, Yangbo published the artcileDiscovery of Substituted 4-(Pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as Potent and Highly Selective Rho Kinase (ROCK-II) Inhibitors, Name: 1H-Pyrazole-4-boronic acid, the publication is Journal of Medicinal Chemistry (2008), 51(21), 6642-6645, database is CAplus and MEDLINE.

The identification of a new class of potent and selective ROCK-II inhibitors is presented. Compound SR-3677 (I) had an IC₅₀ of ∼3 nM in enzyme and cell based assays and had an off-target hit rate of 1.4% against 353 kinases, and inhibited only 3 out of 70 nonkinase enzymes and receptors. Pharmacol. studies showed that I was efficacious in both, increasing ex vivo aqueous humor outflow in porcine eyes and inhibiting myosin light chain phosphorylation.

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, Name: 1H-Pyrazole-4-boronic acid.

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

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

Persson, Tobias published the artcilePyrazole carboxamides and carboxylic acids as protein kinase inhibitors in aberrant eukaryotic signal transduction: Induction of growth arrest in MCF-7 cancer cells, Quality Control of 13599-22-9, the publication is Organic & Biomolecular Chemistry (2007), 5(24), 3963-3970, database is CAplus and MEDLINE.

Densely functionalized pyrazolecarboxamides, e.g. I, and pyrazolecarboxylic acids were prepared through saponification and transamidation of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kinases. Thirty-five analogs were tested in CK2, AKT1, PKA, PKCα, and SAPK2a (p38) kinase inhibition bioassays. Blocking of these kinases may lead to effective therapies for treating inflammatory diseases and cancer. In order to investigate potential biol. activity, MCF-7 human breast cancer cells were incubated with the most promising derivatives Two analogs caused changes in MCF-7 cell growth, one of them through cell cycle arrest demonstrated by cell cycle anal.

Organic & Biomolecular Chemistry 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, Quality Control of 13599-22-9.

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

Kara, Belguzar Yasemin published the artcileA practical and highly efficient reductive dehalogenation of aryl halides using heterogeneous Pd/AlO(OH) nanoparticles and sodium borohydride, Application In Synthesis of 930-36-9, the publication is Tetrahedron (2016), 72(39), 5898-5902, database is CAplus.

The reductive dehalogenation of aryl halides was performed by using com. available aluminum oxy-hydroxide-supported palladium (Pd/AlO(OH)) nanoparticles of about 3 nm size (0.5 weight % Pd) with sodium borohydride. The dehalogenated products were obtained with absolute conversion in a mixture of H₂O/MeOH (volume/volume=1/1) under ultrasonic conditions at room temperature All aryl halides were successfully converted to halogen-free compounds within 1.5-4 h with yields of over 95%. The one-pot catalytic method is presented as a new process for the reductive dehalogenation of halogenated compounds This method is quite simple, highly efficient and eco-friendly, and has an exceptional recovery rate.

Tetrahedron 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

Milner, Phillip J. published the artcileIn-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides, Application of 1-Methylpyrazole, the publication is Organometallics (2015), 34(19), 4775-4780, database is CAplus and MEDLINE.

A thorough investigation of the challenging Pd-catalyzed fluorination of five-membered heteroaryl bromides is presented. Crystallog. studies and d. functional theory (DFT) calculations suggest that the challenging step of this transformation is C-F reductive elimination of five-membered heteroaryl fluorides from Pd(II) complexes. On the basis of these studies, we have found that various heteroaryl bromides bearing Ph groups in the ortho position can be effectively fluorinated under catalytic conditions. Highly activated 2-bromoazoles, such as 8-bromocaffeine, are also viable substrates for this reaction.

Organometallics 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 of 1-Methylpyrazole.

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

Li, Tianrong published the artcileA rhodamine 6G derivative as “turn-on” fluorescent probe for Cu²⁺. Spectroscopy, single crystal structure and DFT calculations, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Polyhedron (2017), 154-159, database is CAplus.

In order to achieve an effective “turn-on” fluorescence detection of Cu²⁺, a rhodamine 6G-based sensor [1-phenyl-3-methyl-5-hydroxypyrazole-4-benzoyl(rhodamine 6G) hydrazone, 1] was prepared Fluorescence and UV-Vis absorption titration, detection limit, single crystal structure, binding mode, and quantum mech. calculation studies were also discussed in detail. Sensor 1 showed highly selectivity and sensitivity to Cu²⁺ among common cations (Na⁺, K⁺, Mg²⁺, Ca²⁺, Mn²⁺, Co²⁺, Ni²⁺, Zn²⁺, Cd²⁺, Cr³⁺, Fe³⁺ and Cu²⁺) in acetonitrile. Upon addition of Cu²⁺, a new absorption band at 523 nm, and a strong emission band centering at 557 nm appeared in 1 solution Relevant solution changed from colorless to purple, and an obvious orange fluorescence emission was given. A maximum fluorescence enhancement of 250 times at 557 nm could be made by addition of 6 equiv of Cu²⁺. The fluorescence detection limit was calculated to be 2.5 μM (0.20 ppm) for Cu²⁺, and 1:1 stoichiometry between Cu²⁺ and 1 was proved. In the single crystal of 1-Cu²⁺ complex, rhodamine moiety exhibited an open cycle form. We believe 1 can be a good candidate for the fluorescence detection of Cu²⁺.

Polyhedron 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

Dong, W.-K. published the artcileSynthesis, crystal, and supermolecular structure of (Z)-4-({4-[1-(hydroxyimino)ethyl]-phenylimino}(phenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, Application In Synthesis of 4551-69-3, the publication is Asian Journal of Chemistry (2013), 25(17), 9952-9956, database is CAplus.

The compound, (Z)-4-({4-[1-(hydroxyimino)ethyl]phenylimino}(phenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one was synthesized and characterized by elemental anal., IR spectra and X-ray diffraction method [triclinic, space group P-1, a 9.5375(12), b 11.2824(13), c 20.545(2) Å, α 97.3970(10), β 92.0430(10), γ 99.280(2)°, V 2160.1(4) ų, Z 4]. This compound is a potential tridentate ligand containing mono-oxime group. In the crystal structure, there are two crystallog. independent but chem. identical mols. A and B. There are two strong intramol. N3-H3…O1 and N7-H7…O3 hydrogen bonds form six-membered S(6) ring motifs. Each mol. A interlinks two neighboring mols. B into a 1D infinite chain through six intermol. O2-H2…N6, C29-H29A…O2, C35-H35…N4, O4-H4…N2, C4-H4A…O4 and C10-H10…N8 hydrogen bonds and each mol. B interlinks two neighboring mols. A into the other 1D infinite chain in the same way. Furthermore, the two dual chains are further stabilized by intermol. C50-H50B…O1 hydrogen bonds to form an infinite 2D supramol. network structure.

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 C17H14N2O2, Application In Synthesis of 4551-69-3.

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