Day: November 24, 2022

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

Peng, Yingyuan published the artcilePd-Catalyzed intramolecular C-H activation and C-S formation to synthesize pyrazolo[5,1-b]benzothiazoles without an additional oxidant, SDS of cas: 14580-22-4, the publication is Organic Chemistry Frontiers (2019), 6(18), 3234-3237, database is CAplus.

An efficient synthesis of pyrazolo[5,1-b]benzothiazole scaffold via Pd-catalyzed intramol. C-H activation and C-S formation was reported. By starting from easily available 1-phenyl-1H-pyrazole-5-thiol compounds, a series of substituted pyrazolo[5,1-b]benzothiazoles were obtained with moderate to good yields. Interestingly, this reaction didn’t need any addnl. oxidant and the reaction conditions were also suitable for the synthesis of imidazo[2,1-b]benzothiazole derivatives

Organic Chemistry Frontiers 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

Wang, Yuting published the artcileDesign, synthesis, and biological evaluation of pyrano[2,3-c]pyrazole-Based RalA inhibitors against hepatocellular carcinoma, Computed Properties of 14580-22-4, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 700956, database is CAplus and MEDLINE.

The discovery of a series of 6-sulfonylamide-pyrano[2,3-c]pyrazole derivatives I [R = H, 4-Me, 2-MeO, etc.; R¹ = C₆H₅, 4-MeC₆H₄, 4-MeOC₆H₄, etc.; R² = C₆H₅, 4-MeC₆H₄, 3-MeOC₆H₄, etc.] as novel RalA inhibitors was reported. ELISA-based biochem. assay results indicated that compounds I [R = H; R¹ = 4-MeC₆H₄, 4-MeOC₆H₄, 4-F₃CC₆H₄, 2,4-di-FC₆H₃, 2-thienyl; R² = 4-F₃CC₆H₄, 3-pyridyl, 4-pyridyl, 3-thienyl] suppressed RalA/B binding capacities to their substrates. Cellular proliferation assays indicated that these RalA inhibitors potently inhibited the proliferation of HCC cell lines, including HepG2, SMMC-7721, Hep3B, and Huh-7 cells. Among the evaluated compounds, compound I [R = H, R¹ = 4-MeOC₆H₄, R² = 4-F₃CC₆H₄] displayed good inhibitory capacities on RalA (IC₅₀ = 0.22渭M) and HepG2 cells (IC₅₀ = 2.28渭M). Overall, the results suggested that a novel small mol. RalA inhibitor with a 6-sulfonylamide-pyrano[2,3-c]-pyrazole scaffold suppressed autophagy and cell proliferation in hepatocellular carcinoma, and that it has potential for HCC-targeted therapy.

Frontiers in Chemistry (Lausanne, Switzerland) 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 C3H6O2, Computed Properties of 14580-22-4.

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

Lin, Jiao-Min published the artcileA Metal-Organic Framework with a Pore Size/Shape Suitable for Strong Binding and Close Packing of Methane, Formula: C8H7N3, the publication is Angewandte Chemie, International Edition (2016), 55(15), 4674-4678, database is CAplus and MEDLINE.

Much effort has been devoted to develop new porous structures for methane storage. We report a new porous coordination framework showing exceptional methane uptakes (e.g. 263 volume/volume at 298 K and 65 bar) and adsorption enthalpies (21.6 kJ mol^-1) as high as current record holders functionalized by open metal sites. Computational simulations demonstrated that the hierarchical pore structure consisting of single-wall nanocages has suitable sizes/shapes and organic binding sites to enforce not only strong host-methane and methane-methane interactions but also dense packing of methane mols.

Angewandte Chemie, International Edition 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, Formula: C8H7N3.

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

Lin, Jiao-Min published the artcileA novel pillared-layer-type porous coordination polymer featuring three-dimensional pore system and high methane storage capacity, Application In Synthesis of 19959-71-8, the publication is Science China: Chemistry (2016), 59(8), 970-974, database is CAplus.

Solvothermal reaction of Zn(NO₃)₂, 4-(1H-pyrazol-4-yl)pyridine (Hpypz) and 1,3,5-benzenetricarboxylic acid (H₃btc) in N,N-dimethylacetamide (DMA) produced a new porous coordination polymer [Zn₅(pypz)₄(btc)₂] (1). Single-crystal x-ray diffraction study of 1 showed that deprotonated pypz^– ligands served as 1,2,4-triazolate-like ligands, linking Zn(II) ions to form porous 2D sql-a layers {Zn(pypz)}⁺, which were further connected by eight-legged pillars {Zn₂(btc)₄(H₂O)₂}^8- based on the typical paddlewheel dinuclear Zn₂(RCOO)₄(H₂O)₂ cluster to form a novel type of noninterpenetrated pillared-layer framework with 3D intersecting pore system and large pore volume Gas sorption measurements revealed that 1 possesses a large BET surface area of 2061 m² g^-1 and very high methane total uptake of 245 cm³(STP) cm^-3 at 298 K and 65 bar.

Science China: Chemistry 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, Application In Synthesis of 19959-71-8.

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

Wang, Yu published the artcilePreparation of trace single oxidation state plutonium solutions, Product Details of C17H14N2O2, the publication is He Huaxue Yu Fangshe Huaxue (2014), 36(4), 200-204, database is CAplus.

The trace levels of single oxidation state plutonium (Pu(IV,V,VI)) solution was prepared, and the stability was monitored over time. The oxidation state distribution of the solution was analyzed by solvent extraction methods, in which Pu (IV) was extracted with TTA and Pu (IV + VI) was separated by HDEHP. The Pu (IV) solution is prepared by heating the solution until dryness in 1 mol/L HNO₃ repeatedly, and Pu (VI) solution is obtained by keeping Pu (IV) in 0.5-1 mol/L HNO₃-0.1 mmol/L KMnO₄ system for 24 h. Pu (1M) is reduced automatically to Pu (V) in the dark for 5 d. All of these single plutonium solutions could not keep steady in PH = 3.0, 0.01 mol/L NaCl system. Consequently, single oxidation state plutonium solutions need to be prepared freshly for each experiment

He Huaxue Yu Fangshe Huaxue 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 C6H8O3, Product Details of C17H14N2O2.

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

Gao, Qingqing published the artcilePalladium-catalyzed polyannulation of pyrazoles and diynes toward multifunctional poly(indazole)s under monomer non-stoichiometric conditions, Application In Synthesis of 930-36-9, the publication is Polymer Chemistry (2019), 10(39), 5296-5303, database is CAplus.

A new synthetic route toward multifunctional poly(indazole)s (PIs) with an effect of monomer stoichiometry imbalance-promoted polymerization is described in this work. The palladium-catalyzed oxidative polyannulations of internal diynes and 1-methylpyrazole proceed smoothly in 1,4-dioxane at 120掳C with copper acetate monohydrate functioning as the oxidant. A series of PIs with high mol. weights (M_w up to 35 800) are generated in good yields (up to 84.0%) under monomer non-stoichiometric conditions. These polymers exhibit high thermal stability, losing merely 5% of their weights at high temperatures of 321-353掳C. The solid thin films of these PIs show high and UV-tunable refractive indexes (n = 1.8870-1.6051) in a wide wavelength range of 400-900 nm. The tetraphenylethene-containing PI shows obvious solid-state emission properties and good photosensitivity. Its thin film was successfully fabricated into a well-defined two-dimensional fluorescent photopattern with sharp edges.

Polymer 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

Ryu, Jae Wook published the artcileDesign and synthesis of triazolopyridazines substituted with methylisoquinolinone as selective c-Met kinase inhibitors, Synthetic Route of 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(23), 7185-7188, database is CAplus and MEDLINE.

A series of triazolopyridazines substituted with methylisoquinolinone, e.g. I (R = Ph, pyrrolidin-1-yl, thiazol-3-yl, 3-FC₆H₄), were designed and synthesized. Some of the triazolopyridazines strongly inhibited c-Met kinase and showed good anti-proliferative activity against a panel of c-Met-amplified gastric cancer cell lines (MKN-45, SNU-5 and Hs746T).

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, Synthetic Route of 763120-58-7.

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