Month: November 2022

Batezila, Giselle published the artcile(2-Chlorophenyl)-3-methylchromeno[2,3-c]pyrazol-4(1H)-one, SDS of cas: 14580-22-4, the publication is Molbank (2010), No pp. given, database is CAplus.

The title compound was prepared by treatment of 1-(2-chlorophenyl)-3-methyl-2-pyrazolin-5-one with 2-chlorobenzoyl chloride by using Ca(OH)₂ in 1,4-dioxane and subsequent cyclization of the thus obtained 4-aroyl-5-hydroxypyrazole with sodium hydride in dry DMF. Detailed spectroscopic data (¹H NMR, ¹³C NMR, ¹⁵N NMR, IR, MS) are presented.

Molbank 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, SDS of cas: 14580-22-4.

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

Hoeppner, F. D. published the artcileMO calculations for photographic dye development. VIII, Quality Control of 14580-22-4, the publication is Journal fuer Signalaufzeichnungsmaterialien (1975), 3(1), 75-7, database is CAplus.

The total 蟺 electronic energy, calculated using HMO-NBI formalism, was plotted versus the torsion angle, 胃. For R = H, a single min. in the total energy of I and II occurred at 胃鈭?0掳 while for III, the min. occurred at 胃鈭?5掳. The tautomer stability increased in the order III < I < II. For R = Cl, the potential curve showed two min. for each tautomer form, one at 胃 = 30-40掳 and the other at 胃 = 120-130掳, with a relatively high potential barrier; the relative stability of the tautomer did not change for R = Cl.

Journal fuer Signalaufzeichnungsmaterialien 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, Quality Control of 14580-22-4.

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

Cheng, Hengmiao published the artcileStructure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series, Recommanded Product: 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(9), 2787-2792, database is CAplus and MEDLINE.

PI3K, AKT and mTOR, key kinases from a frequently dysregulated PI3K signaling pathway, have been extensively pursued to treat a variety of cancers in oncol. Clin. trials of PF-04691502, a highly potent and selective ATP competitive kinase inhibitor of class 1 PI3Ks and mTOR, from 4-methylpyridopyrimidinone series, led to the discovery of a metabolite with a terminal carboxylic acid, PF-06465603. This paper discusses structure-based drug design, SAR and antitumor activity of the MPP derivatives with a terminal alc., a carboxylic acid or a carboxyl amide e. g., I.

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, Recommanded Product: 1H-Pyrazole-4-boronic acid.

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

Pony Yu, Renyuan published the artcileIron-catalysed tritiation of pharmaceuticals, COA of Formula: C4H6N2, the publication is Nature (London, United Kingdom) (2016), 529(7585), 195-199, database is CAplus and MEDLINE.

A thorough understanding of the pharmacokinetic and pharmacodynamic properties of a drug in animal models is a critical component of drug discovery and development. Such studies are performed in vivo and in vitro at various stages of the development process-ranging from preclin. absorption, distribution, metabolism and excretion (ADME) studies to late-stage human clin. trials-to elucidate a drug mol.’s metabolic profile and to assess its toxicity. Radiolabeled compounds, typically those that contain ¹⁴C or ³H isotopes, are one of the most powerful and widely deployed diagnostics for these studies. The introduction of radiolabels using synthetic chem. enables the direct tracing of the drug mol. without substantially altering its structure or function. The ubiquity of C-H bonds in drugs and the relative ease and low cost associated with tritium (³H) make it an ideal radioisotope with which to conduct ADME studies early in the drug development process. Here we describe an iron-catalyzed method for the direct ³H labeling of pharmaceuticals by hydrogen isotope exchange, using tritium gas as the source of the radioisotope. The site selectivity of the iron catalyst is orthogonal to currently used iridium catalysts and allows isotopic labeling of complementary positions in drug mols., providing a new diagnostic tool in drug development.

Nature (London, United Kingdom) 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, COA of Formula: C4H6N2.

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

Erigoni, A. published the artcileHighly active hybrid mesoporous silica-supported base organocatalysts for C-C bond formation, Synthetic Route of 930-36-9, the publication is Catalysis Today (2020), 227-236, database is CAplus.

New base hybrid catalysts, based on silyl-derivatives of mols. carrying amino, diamino, pyrrolidine, pyrazolium and imidazolium functionalities were successfully achieved through post synthetic grafting onto M41S-type support. Different characterization techniques were implemented to study the characteristics of the materials, such as elemental anal., solid state MAS NMR and FTIR spectroscopies, X-ray diffraction (XRD), thermogravimetric and differential thermal analyses (TGA-DTA) and textural properties through N2 physisorption anal. The catalytic activity and recyclability of these compounds as base catalysts was demonstrated for C-C bond forming reactions such as Knoevenagel condensations and Michael additions rationalizing the differences observed as function of the reaction mechanisms. An enamine mechanism was proposed for Knoevenagel condensations and an enolate mechanism for Michael additions

Catalysis Today 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, Synthetic Route of 930-36-9.

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

Haessner, Rainer published the artcileCarbon-13 NMR data for chlorine- or nitro-substituted azomethine dyes, COA of Formula: C10H9ClN2O, the publication is Magnetic Resonance in Chemistry (1990), 28(9), 817-19, database is CAplus.

The ¹³C NMR of 1-aryl-substituted 3-methyl-2-pyrazolin-5-ones and their azomethine dyes have been recorded and assigned. Ortho substituents (Cl and NO₂) on the Ph ring in the 1-position of the pyrazoline moiety show a small influence on the chem. shift of the azomethine bond carbon atom, C-4.

Magnetic Resonance in 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 C10H9ClN2O, COA of Formula: C10H9ClN2O.

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

Larsen, Matthew A. published the artcileA Modular and Diastereoselective 5 + 1 Cyclization Approach to N-(Hetero)Aryl Piperidines, Computed Properties of 137837-55-9, the publication is Journal of the American Chemical Society (2020), 142(2), 726-732, database is CAplus and MEDLINE.

A new general de novo synthesis of pharmaceutically important N-(hetero)aryl piperidines is reported. This protocol uses a robustly diastereoselective reductive amination/aza-Michael reaction sequence to achieve rapid construction of complex polysubstituted ring systems starting from widely available heterocyclic amine nucleophiles and carbonyl electrophiles. Notably, the diastereoselectivity of this process is enhanced by the presence of water, and DFT calculations support a stereochem. model involving a facially selective protonation of a water-coordinated enol intermediate.

Journal of the American Chemical Society published new progress about 137837-55-9. 137837-55-9 belongs to pyrazoles-derivatives, auxiliary class Other Aromatic Heterocyclic,Amine, name is Pyrazolo[1,5-a]pyridin-3-amine, and the molecular formula is C7H7N3, Computed Properties of 137837-55-9.

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

O’Dowd, Colin R. published the artcileIdentification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors, Synthetic Route of 724710-02-5, the publication is ACS Medicinal Chemistry Letters (2018), 9(3), 238-243, database is CAplus and MEDLINE.

Ubiquitin specific protease 7 (USP7, HAUSP) has become an attractive target in drug discovery due to the role it plays in modulating Mdm2 levels and consequently p53. Increasing interest in USP7 is emerging due to its potential involvement in oncogenic pathways as well as possible roles in both metabolic and immune disorders in addition to viral infections. Potent, novel, and selective inhibitors of USP7 have been developed using both rational and structure-guided design enabled by high-resolution cocrystallog. Initial hits were identified via fragment-based screening, scaffold-hopping, and hybridization exercises. Two distinct subseries are described along with associated structure-activity relationship trends, as are initial efforts aimed at developing compounds suitable for in vivo experiments Overall, these discoveries will enable further research into the wider biol. role of USP7.

ACS 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, Synthetic Route of 724710-02-5.

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

Ege, Guenter published the artcileReactions with diazoazoles. Part VI. Unequivocal synthesis of 3-methyl-3H-azolotetrazoles. Correction of the formerly described 3-methylazolotetrazoles in favor of mesoionic 2-methylazolotetrazoles, Recommanded Product: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, the publication is Journal of Heterocyclic Chemistry (1983), 20(6), 1629-39, database is CAplus.

3-Methyl-3H-pyrazolo[1,5-d]tetrazoles I (X = CR¹; R = H, R¹ = H, Ph; R = Me, R¹ = CO₂Et) and 3-methyl-6-phenyl-3H-1,2,4-triazolo[1,5-d]tetrazole (I, X = N, R = Ph) have been unequivocally synthesized by annulation of the tetrazole moiety to the pyrazole or 1,2,4-triazole system. The constitution of some N-Me substituted azolotetrazoles, formerly described as I (X = CH, R = Ph; X = CMe, R = CO₂Et; X = N, R = Ph) and 1-methyl-6-phenyl-1H-1,2,4-triazolo[4,3-d]tetrazole, has to be revised to the corresponding mesoionic 2-Me derivatives The structures of I (X = CH, R = Ph; X = CMe R = CO₂Et) and 2-methyl-7-phenyl-2H-pyrazolo[1,5-d]tetrazole have been determined by x-ray analyses. The azapentalenic system is aromatic in all 3 compounds and mesoionic in the case of the 2-methyl-2H-substitution pattern. The Ph and ester substituents are coplanar with the azapentalene system. 3-, 2-, And 1-methylpyrazolo[1,5-d]tetrazoles exhibit different behavior with SnCl₂ or NaOEt. Azolotetrazoles with a Me substituent at N-1, N-2 or N-3 of the tetrazole moiety can be distinguished by a combination of ¹H and ¹³C NMR with respect to the chem. shifts of the N-Me group and the bridgehead C. Results of semiempirical calculations of the pyrazolo[1,5-d]tetrazole anion and of its N-Me derivatives are discussed.

Journal of Heterocyclic 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, Recommanded Product: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate.

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

Pei, Lixia published the artcileHomo- and copolymerizations of ethylene and norbornene using bis(尾-ketoamino) titanium catalysts containing pyrazolone rings, Related Products of pyrazoles-derivatives, the publication is Polymers (Basel, Switzerland) (2017), 9(7), 262/1-262/12, database is CAplus and MEDLINE.

A series of bis(尾-ketoamino) titanium complexes containing pyrazolone rings (1-3) have been synthesized, characterized, and used as precursors for homo- and copolymerization of ethylene and norbornene. The titanium complexes activated with methylaluminoxane (MAO) exhibited good activities for homopolymerization of ethylene (E) to produce linear polyethylenes (PEs). Ethylene-norbornene copolymers (E-N) were also prepared by these catalysts with moderate activities, and influences of ligand substituents and norbornene addition on copolymer microstructure were studied in detail. Microstructure anal. of the E-N copolymers by ¹³C NMR and differential scanning calorimetry (DSC) techniques showed that alternating (ENEN) and isolated (ENEE) norbornene predominately appeared in the copolymer chain, and the NN dyad and NNN triad sequences were also present in the copolymers obtained by the less bulky catalyst 1.

Polymers (Basel, Switzerland) 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