Category: pyrazoles-derivatives

Wang, Gang published the artcileSynthesis, structure characterization and antibacterial activities of the Schiff base condensed from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone and L-phenylane ethyl ester and its metal complexes, Computed Properties of 4551-69-3, the publication is Xinxiang Yixueyuan Xuebao (2015), 32(1), 8-11, database is CAplus.

The aim of the research was to synthesize a Schiff base derived from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone (HPMTP) with L-phenylane Et ester and its metal complexes [Cu (II), Co (II), Ni (II), Fe (II), Mn (II)] and test their possible structures and antibacterial activity. The possible structures were given to the six compounds by elemental anal., 1H NMR (¹H NMR) and IR spectroscopy (IR) methods. The antibacterial activity tests at different concentrations against E. coli and B. subtilis were performed using diffusion test in vitro. The possible structure of schiff base ligand and its metal complexes was deduced according to the results of ¹H-NMR and IR. All compounds had the activity of inhibiting the growth of the E. coli and B. subtilis at 1.25, 2.50, 5.00 g·L^-1, and the antibacterial activity was the highest at 2.50 g·L^-1. The order of the antibacterial activity was metal complex > Schiff base ligand > HPMTP. Especially, the antibacterial activity of Cu (II) and Co (II) complexes was the best. Cu (II) and Co (II) complexes were worth for them to be future developed.

Xinxiang Yixueyuan Xuebao 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 C11H21BO2Si, Computed Properties of 4551-69-3.

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

Sutherland, Hamish S. published the artcileSynthesis and structure-activity relationships for a new class of tetrahydronaphthalene amide inhibitors of Mycobacterium tuberculosis, Formula: C3H5BN2O2, the publication is European Journal of Medicinal Chemistry (2022), 114059, database is CAplus and MEDLINE.

Drug resistant tuberculsosis (TB) is global health crisis that demands novel treatment strategies. Bacterial ATP synthase inhibitors such as bedaquiline and next-generation analogs (such as TBAJ-876) have shown promising efficacy in patient populations and preclin. studies, resp., suggesting that selective targeting of this enzyme presents a validated therapeutic strategy for the treatment of TB. In this work, we report tetrahydronaphthalene amides (THNAs) as a new class of ATP synthase inhibitors that are effective in preventing the growth of Mycobacterium tuberculosis (M.tb) in culture. Design, synthesis and comprehensive structure-activity relationship studies for approx. 80 THNA analogs are described, with a small selection of compounds exhibiting potent (in some cases MIC90 <1 μg/mL) in vitro M.tb growth inhibition taken forward to pharmacokinetic and off-target profiling studies. Ultimately, we show that some of these THNAs possess reduced lipophilic properties, decreased hERG liability, faster mouse/human liver microsomal clearance rates and shorter plasma half-lives compared with bedaquiline, potentially addressing of the main concerns of persistence and phospholipidosis associated with bedaquiline.

European Journal of Medicinal Chemistry 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 C28H18O4, Formula: C3H5BN2O2.

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

Bao, Jianming published the artcileTetrahydroindolizinone NK₁ antagonists, COA of Formula: C3H5BN2O2, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(7), 2354-2358, database is CAplus and MEDLINE.

A new class of potent NK₁ receptor antagonists with a tetrahydroindolizinone core has been identified. This series of compounds demonstrated improved functional activities as compared to previously identified 5,5-fused pyrrolidine lead structures. SAR at the 7-position of the tetrahydroindolizinone core is discussed in detail. A number of compounds displayed high NK₁ receptor occupancy at both 1 h and 24 h in a gerbil foot tapping model. Compound 40 has high NK₁ binding affinity, good selectivity for other NK receptors and promising in vivo properties. It also has clean P₄₅₀ inhibition and hPXR induction profiles.

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 C3H5BN2O2, COA of Formula: C3H5BN2O2.

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

Sun, Yin-Xia published the artcileSynthesis and crystal structure of a new 2D-supramolecular complex: [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], Related Products of pyrazoles-derivatives, the publication is Asian Journal of Chemistry (2013), 25(13), 7115-7117, database is CAplus.

The mol. of the prepared Cd(II) complex bis(1-phenyl-3-methyl-4-benzoyl-5-pyrazolone)bis(ethanol)cadmium(II), [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], is rigorously centrosym. [symmetry codes: -x, -y, -z]. The Cd(II) center exhibits a slightly distorted octahedral geometry with two ligand units forming the basal O₂O₂ coordination plane and two other O atoms from two coordinated EtOH mols. in the axial position. In the crystal structure, intermol. O-H···N H bonds and C-H···π stacking interactions link the complex mols. into an infinite 2-dimensional supramol. 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 C7H13NO2, Related Products of pyrazoles-derivatives.

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

Chen, Deheng published the artcileDiscovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins, Synthetic Route of 763120-58-7, the publication is European Journal of Medicinal Chemistry (2019), 111633, database is CAplus and MEDLINE.

Recently, selective inhibition of BET BD2 is emerging as a promising strategy for drug discovery. Despite significant progress in this area, systematic studies of selective BET BD2 inhibitors are still few. In this study, we report the discovery of a potent and selective BET BD2 inhibitor BY27 (47). Our high resolution co-crystal structures of 47/BRD2 BD1 and BD2 showed that the triazole group of 47, water mols., H433 and N429 in BRD2 BD2 established a water-bridged H-bonding network, which is responsible for the observed selectivities. DNA microarray anal. of HepG2 cells treated with 47 or OTX015 demonstrated the transcriptome impact differences between a BET BD2 selective inhibitor and a pan BET inhibitor. In a MV4-11 mouse xenograft model, 47 caused 67% of tumor growth inhibition and was less toxic than a pan BET inhibitor 1 at high doses. We conclude that the improved safety profile of selective BET BD2 inhibitors warrant future studies in BET associated diseases.

European 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, Synthetic Route of 763120-58-7.

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

Xie, Chen published the artcileA facile catalytic Michael addition of pyrazolines to α,β-unsaturated carbonyl compounds, Related Products of pyrazoles-derivatives, the publication is Tetrahedron Letters (2012), 53(49), 6650-6653, database is CAplus.

A new highly efficient cascade reaction of pyrazolines with α,β-unsaturated carbonyl compounds catalyzed by DBU was reported. The process underwent the first deprotection/Michael addition reaction to give 4-substituted pyrazolines, e.g. I [R = Et, MeO, PhO, etc.; Ar = Ph, 4-ClC₆H₄], which were further converted into 4,4-di-substituted pyrazolones II via the second deprotection/Michael reaction. The mechanism for this reaction was also studied.

Tetrahedron 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 C23H23ClN2O4, Related Products of pyrazoles-derivatives.

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

Zhang, Zhao published the artcile(Z)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, Application In Synthesis of 4551-69-3, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(9), o2777, database is CAplus and MEDLINE.

The mol. of the title compound, C₂₇H₂₂N₄O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 12.73(11), 65.17(6), and 49.82(6)° with the two benzene rings and the naphthalene ring system. In the crystal, pairs of mols. are linked by intermol. N-H···N hydrogen bonds, forming dimers. The secondary amino group is involved in an intramol. N-H···O hydrogen bond.

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 C15H12O6, Application In Synthesis of 4551-69-3.

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

Zhou, Jun published the artcilePhosphine-free ruthenium complexes supported by a pincer ligand bearing 1,2-dihydropyrimidine for Oppenauer-type oxidation of secondary alcohols, HPLC of Formula: 930-36-9, the publication is Journal of Organometallic Chemistry (2022), 122323, database is CAplus.

Treatment of the (diethylaminomethyl-picolyl)pyrazolium (A3) with NaOH in dichloromethane affords the pincer ligand (L) bearing a 1,2-dihydropyrimidine unit. Reaction of [RuCl₂(DMSO)₄] and the ligand (L) affords the complex [RuCl₂(L)(DMSO)] (Ru1). Removal of the chlorides from Ru1 with either NaBF₄ or KPF₆ in CH₃CN produces the complexes [Ru(L)(CH₃CN)₃](BF₄)₂ (Ru2) and [Ru(L)(CH₃CN)₃](PF₆)₂ (Ru3), resp. Ru2 has been characterized with X-ray crystallog. All of the new ruthenium complexes (Ru1-Ru3) are catalytically active in the Oppenauer-type oxidation of secondary alcs. Among them, the complex Ru1 is the most active. Steric effects were observed from the outcome of substituted acetophenones.

Journal of Organometallic 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 C3H8N2S, HPLC of Formula: 930-36-9.

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

Sharma, Suresh Chandra published the artcileSynthesis, reactions, and nuclear magnetic resonance spectroscopy of 4-methyl-6H-pyrazolo(3,4-b)azepin-7-ones, Quality Control of 3553-12-6, the publication is Canadian Journal of Chemistry (1979), 57(23), 3034-40, database is CAplus.

I (R = H, Me, Ph, halogenated phenyl; R¹ = H, Me) reacted with Et levulinate to give II (same R, R¹) and acetamidopyrazoles. The courses of methylation and bromination of some II were examined; conversion of one pyrazoloazepinone to 7-chloropyrazoloazepine and amination gave 7-(substituted amino)pyrazoloazepines. Structural assignments, tautomeric preferences, and through-space interactions between substituents were established through NMR (¹H and ¹³C). Some II exhibit significant antiinflammatory and analgesic effects in mice.

Canadian Journal of Chemistry published new progress about 3553-12-6. 3553-12-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Amide, name is 3-Acetamidopyrazole, and the molecular formula is C10H11N3O3S, Quality Control of 3553-12-6.

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

Liang, Jie published the artcileHigh-selective one-pot synthesis of spirocyclopropane pyrazolones promoted by 4-dimethylaminopyridine, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Youji Huaxue (2019), 39(11), 3169-3175, database is CAplus.

A 4-dimethylaminopyridine (DMAP)-promoted high stereoselectivity method for the synthesis of polysubstituted spiropropane pyrazolone was developed. A series of target compounds were synthesized in high yields from pyrazolone, aromatic aldehydes and bromoacetate as raw materials and DMAP as a base via three-component one-pot reaction. This reaction has the advantages of simple operation, high yield and good diastereotopic selectivity. In addition, this synthetic method is of great value for the study of spiropropane.

Youji Huaxue 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