pyrazoles-derivatives

Vannam, Raghu published the artcileTargeted degradation of the enhancer lysine acetyltransferases CBP and p300, Application of tert-Butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate, the publication is Cell Chemical Biology (2021), 28(4), 503-514.e12, database is CAplus and MEDLINE.

The enhancer factors CREB-binding protein (CBP) and p300 (also known as KAT3A and KAT3B) maintain gene expression programs through lysine acetylation of chromatin and transcriptional regulators and by scaffolding functions mediated by several protein-protein interaction domains. Small mol. inhibitors that target some of these domains have been developed; however, they cannot completely ablate p300/CBP function in cells. Here we describe a chem. degrader of p300/CBP, dCBP-1. Leveraging structures of ligand-bound p300/CBP domains, we use in silico modeling of ternary complex formation with the E3 ubiquitin ligase cereblon to enable degrader design. dCBP-1 is exceptionally potent at killing multiple myeloma cells and can abolish the enhancer that drives MYC oncogene expression. As an efficient degrader of this unique class of acetyltransferases, dCBP-1 is a useful tool alongside domain inhibitors for dissecting the mechanism by which these factors coordinate enhancer activity in normal and diseased cells.

Cell Chemical Biology published new progress about 1936429-06-9. 1936429-06-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazoles, name is tert-Butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate, and the molecular formula is C14H10O4, Application of tert-Butyl 3-bromo-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate.

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

Mikami, Satoshi published the artcileDiscovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders, Application In Synthesis of 23286-70-6, the publication is Journal of Medicinal Chemistry (2017), 60(18), 7658-7676, database is CAplus and MEDLINE.

Herein, the authors describe the discovery of a potent, selective, brain-penetrating, in vivo active phosphodiesterase (PDE) 2A inhibitor lead series. To identify high-quality leads suitable for optimization and enable validation of the physiol. function of PDE2A in vivo, structural modifications of the high-throughput screening hit were performed. The lead generation efforts revealed three key potency-enhancing functionalities with minimal increases in mol. weight (MW) and no change in topol. polar surface area (TPSA). Combining these structural elements led to the identification of 6-methyl-N-((1R)-1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (38a), a mol. with the desired balance of preclin. properties. Further characterization by cocrystal structure anal. of (38a) bound to PDE2A uncovered a unique binding mode and provided insights into its observed potency and PDE selectivity. Compound (38a) significantly elevated 3′,5′-cGMP levels in mouse brain following oral administration, thus validating this compound as a useful pharmacol. tool and an attractive lead for future optimization.

Journal of Medicinal Chemistry 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, Application In Synthesis of 23286-70-6.

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

Maurya, Mannar R. published the artcileVanadium(IV and V) complexes of pyrazolone based ligands: Synthesis, structural characterization and catalytic applications, Related Products of pyrazoles-derivatives, the publication is Dalton Transactions (2016), 45(43), 17343-17364, database is CAplus and MEDLINE.

The ONO donor ligands obtained from the condensation of 4-benzoyl-3-methyl-1-phenyl-2-pyrazoline-5-one (Hbp) with benzoylhydrazide (H₂bp-bhz I), furoylhydrazide (H₂bp-fah II), nicotinoylhydrazide (H₂bp-nah III) and isonicotinoylhydrazide (H₂bp-inh IV), upon treatment with [V^IVO(acac)₂], give [V^IVO(bp-bhz)(H₂O)] 1, [V^IVO(bp-fah)(H₂O)] 2, [V^IVO(bp-nah)(H₂O)] 3 and [V^IVO(bp-inh)(H₂O)] 4, resp. At neutral pH the in situ generated aqueous K[H₂V^VO₄] reacts with ligands I and II, forming potassium salts, K(H₂O)₂[V^VO₂(bp-bhz)] 5 and K(H₂O)₂[V^VO₂(bp-fah)] 6, while ligands III and IV give neutral complexes, [V^VO₂(Hbp-nah)] 9 and [V^VO₂(Hbp-inh)] 10, resp. Acidification of aqueous solutions of 5 and 6 with HCl also gives neutral complexes [V^VO₂(Hbp-bhz)] 7 and [V^VO₂(Hbp-fah)] 8, resp. Complexes 1–4, upon slow aerial oxidation in methanol, convert into monooxidovanadium(V) complexes, [V^VO(bp-bhz)(OMe)] 11, [V^VO(bp-fah)(OMe)] 12, [V^VO(bp-nah)(OMe)] 13 and [V^VO(bp-inh)(OMe)] 14, resp. All complexes were characterized by various spectroscopic techniques like FTIR, UV-visible, EPR (for complexes 1–4) and NMR (¹H, ¹³C and ⁵¹V), elemental anal., TG and single crystal x-ray diffraction (for complexes 5–10 and 12). In the solid state, all complexes characterized by x-ray diffraction show the metal ion 5-coordinated in a distorted square pyramidal geometry. Complexes 11–14 were tested as catalysts for the one-pot three-component (ethylacetoacetate, benzaldehyde and ammonium acetate) dynamic covalent assembly, via Hantzsch reaction, using hydrogen peroxide as oxidant in solution and under solvent-free conditions. The complexes are also active catalysts for the oxidation of tetralin to tetralone with H₂O₂ as oxidant. The influence of the amounts of catalyst and oxidant, and solvent, temperature and time on the catalyzed reactions was investigated.

Dalton Transactions 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, Related Products of pyrazoles-derivatives.

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

Dong, Kaiwu published the artcileEfficient Palladium-Catalyzed Alkoxycarbonylation of Bulk Industrial Olefins Using Ferrocenyl Phosphine Ligands, Category: pyrazoles-derivatives, the publication is Angewandte Chemie, International Edition (2017), 56(19), 5267-5271, database is CAplus and MEDLINE.

The development of ligands plays a key role and provides important innovations in homogeneous catalysis. In this context, authors report a novel class of ferrocenyl phosphines for the alkoxycarbonylation of industrially important alkenes. A basic feature of ligands is the combination of sterically hindered and amphoteric moieties on the P atoms, which leads to improved activity and productivity for alkoxycarbonylation reactions compared to the current industrial state-of-the-art ligand 1,2-bis((di-tert-butylphosphino)methyl)benzene. Advantageously, palladium catalysts with these novel ligands also enable such transformations without addnl. acid under milder reaction conditions. The practicability of the optimized ligand was demonstrated by preparation on >10 g scale and its use in palladium-catalyzed carbonylations on kilogram scale.

Angewandte Chemie, International Edition 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, Category: pyrazoles-derivatives.

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

Semenov, Valentin A. published the artcileCalculation of ¹⁵N NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels, Application In Synthesis of 930-36-9, the publication is Journal of Physical Chemistry A (2019), 123(39), 8417-8426, database is CAplus and MEDLINE.

Computations of 15N NMR chem. shifts in 93 diverse nitrogen-containing compounds representing almost all known classes are performed at the d. functional theory (DFT), second-order Moller-Plesset perturbation theory (MP2), and coupled cluster singles and doubles (CCSD) levels using the composite method approximation (CMA) in comparison with exptl. results. It is shown that the CMA-DFT and CMA-CCSD methods provided the best performance characterized by a normalized mean absolute error of 1.1-1.3% as compared to 2.3% for the CMA-MP2 results. Taking into account solvent effects within the conductor-like polarizable continuum model decreased the normalized mean absolute error by 0.4% for the CMA-DFT and by 0.2% for the CMA-CCSD calculations

Journal of Physical Chemistry A 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 C10H9IO4, Application In Synthesis of 930-36-9.

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

Sathiyaraj, Subbaiyan published the artcileSynthesis, Spectral Characterization, DNA Binding, DNA Cleavage, and Antioxidant Studies of Ruthenium(III) Heterocyclic Thiosemicarbazone Complexes, Application In Synthesis of 4551-69-3, the publication is Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry (2014), 44(9), 1261-1271, database is CAplus.

The reactions of benzothiazolyl thiosemicarbazone with [RuX₃(PPh₃)₃] (X = Cl/Br) in a 1:1 molar ratio gave stable solid complexes corresponding to [RuX(PPh₃)₂(L)]. Structural features were determined by anal. and spectral techniques. DNA binding properties of the ligands and its Ru(III) complexes were studied by electronic absorption spectroscopy. The complexes show good binding affinity to calf-thymus DNA. Gel electrophoresis of pBR322 DNA with complexes demonstrated that the complexes exhibit excellent cleavage activity via oxidative pathway. The antioxidant activity of the free ligands and its complexes was determined by DPPH and hydroxyl radicals. The complexes possess potent antioxidant activity.

Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal 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

Parekh, Nikhil M. published the artcileQuantum chemical studies and dyeing performance of some novel benzoquinoline based heterocyclic monoazo dyes on polyester fiber, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Dyes and Pigments (2012), 95(1), 142-148, database is CAplus.

Some novel benzoquinoline based heterocyclic monoazo dyes were derived by the diazotization of 1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine with various Ph pyrazolone as coupling components. All the heterocyclic monoazo dyes were characterized by elemental analyses and various spectral data (FT-IR, UV-Vis, ¹H NMR and ¹³C NMR), and their 3D model structures were predicted through B3LYP/6-31G(d,p) method. The dyeing performance on polyester fibers inferred that all the dyes gave moderate to excellent fastness properties on fiber. In addition, colorimetric studies of synthesized dyes were discussed.

Dyes and Pigments 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

Idemudia, Omoruyi G. published the artcile3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H-pyrazol-5(4H)-one, Recommanded Product: 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(5), o1280-o1281, database is CAplus and MEDLINE.

The title compound, C₂₃H₂₀N₄O, is a heterocyclic phenylhydrazone Schiff base with a pyrazole moiety. In the crystal, a variety of interactions occur, including N-H···π and π-π stacking between the Ph ring of the phenylhydrazinyl group and its symmetry-generated equivalent [centroid-centroid distance = 3.6512(7) Å]. Crystallog. data and at. coordinates 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, Recommanded Product: 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

Idemudia, Omoruyi G. published the artcile4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol monosolvate, Safety 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(12), o3380, database is CAplus and MEDLINE.

In the title compound, C₂₃H₁₈N₆O₅·C₂H₆O, all three benzene rings lie in an approx. plane [maximum deviation = 0.2688(16) Å] that makes an angle of 53.56(3)° with the plane of the pyrazolone ring. Intramol. N-H···O H bonds occur. In the crystal, the EtOH solvent mol. links adjacent mols. through N-H···O-H···O H bonds, leading to an infinite chain along the c-axis direction. The Et group of the EtOH solvent mol. is disordered over two set of sites in a 0.762(5):0.238(5) ratio. Crystallog. data and at. coordinates 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, Safety 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

Idemudia, Omoruyi G. published the artcileCrystal structure of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one sulfadiazine dimethylformamide monosolvate, C₃₀H₂₉N₇O₄S, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Zeitschrift fuer Kristallographie – New Crystal Structures (2014), 229(4), 455-457, database is CAplus.

The crystal and mol. structure of a 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one Schiff base with sulfadiazine is presented. In the asym. unit the title compound occurs together with 1 DMF solvent mol. There are 2 notable intramol. H bonds, both with O1, namely N3-H3···O1 and C12-H12···O1 that hold the phenylpyrazolone backbone essentially planar together with extended resonance. The least square plane through the atoms N1-N3, O1, C1-C3, C5, and C11-C16 has a r.m.s. of 0.0671 Å. Adjacent mols. are held together at the sulfadiazine group with 2 short N4-H4···N6 H bonds with lengths of 2.062(19) Å which in terms of graph-set anal. can be described by means of a R²₂(8) descriptor on the unary level. There are a large number of π···π ring interactions. The 2 shortest interactions occur with the Ph ring C31-C36 which has 2 π···π ring interactions; 1 with an adjacent pyrazole ring N1, N2, C1-C3, and 1 with the Ph ring C11-C16. The centroid to centroid distances are 4.2512(8) and 4.2530(9) Å, resp. The crystal contains the solvent DMF positionally disordered in a 0.82:0.18 ratio. Crystallog. data are given.

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, 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