Tag: M.W=100-150

Zhao, Xinge published the artcileDiscovery of novel Bruton’s tyrosine kinase (BTK) inhibitors bearing a pyrrolo[2,3-d]pyrimidine scaffold, Application In Synthesis of 724710-02-5, the publication is Bioorganic & Medicinal Chemistry (2015), 23(4), 891-901, database is CAplus and MEDLINE.

A series of novel reversible BTK inhibitors was designed based on the structure of the recently reported preclin. drug RN486. Knowledge of the binding mode of RN486 led to the design of new inhibitors that utilized pyrrolo[2,3-d]pyrimidine to conformationally restrain key pharmacophoric groups within the mol. Comprehensive SAR was disclosed and the most promising compound 4x displayed superior activity both in BTK enzyme (IC₅₀ = 4.8 nM) and cellular inhibition (IC₅₀ = 17 nM) assays to that of RN486.

Bioorganic & 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 C5H8N2O, Application In Synthesis of 724710-02-5.

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

Cheung, Atwood K. published the artcileDiscovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA), HPLC of Formula: 763120-58-7, the publication is Journal of Medicinal Chemistry (2018), 61(24), 11021-11036, database is CAplus and MEDLINE.

Spinal muscular atrophy (SMA), a rare neuromuscular disorder, is the leading genetic cause of death in infants and toddlers. SMA is caused by the deletion or a loss of function mutation of the survival motor neuron 1 (SMN1) gene. In humans, a second closely related gene SMN2 exists, however it codes for a less stable SMN protein. In recent years, significant progress has been made toward disease modifying treatments for SMA by modulating SMN2 pre-mRNA splicing. Herein, we describe the discovery of LMI070/branaplam, a small mol. that stabilizes the interaction between the spliceosome and SMN2 pre-mRNA. Branaplam (1) originated from a high-throughput phenotypic screening hit, pyridazine 2, and evolved via multi-parameter lead optimization. In a severe mouse SMA model, branaplam treatment increased full-length SMN RNA and protein levels, and extended survival. Currently, branaplam is in clin. studies for SMA.

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, HPLC of Formula: 763120-58-7.

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

Rani, Pooja published the artcileCoordination Polymers as a Functional Material for the Selective Molecular Recognition of Nitroaromatics and ipso-Hydroxylation of Arylboronic Acids, Computed Properties of 763120-58-7, the publication is Chemistry – An Asian Journal (2022), 17(2), e202101204, database is CAplus and MEDLINE.

We report the synthesis and structural characterization of two coordination polymers (CPs), namely; [{Zn(L)(DMF)₄} 路 2BF₄]_伪 (1) and [{Cd(L)₂(Cl)₂} 路 2H₂O]_伪 (2) (where L=N²,N⁶-di(pyridin-4-yl)naphthalene-2,6-dicarboxamide). Crystal packing of 1 reveals the existence of channels running along the b- and c-axis filled by the ligated DMF and lattice anions, resp. Whereas, crystal packing of 2 reveals that the metallacycles of each 1D chain are intercalating into the groove of adjacent metallacycles resulting in the stacking of 1D loop-chains to form a sheet-like architecture. In addition, both 1 and 2 were exploited as multifunctional materials for the detection of nitroarom. compounds (NACs) as well as a catalyst in the ipso-hydroxylation of aryl/heteroarylboronic acids. Remarkably, 1 and 2 showed high fluorescence stability in an aqueous medium and displayed a maximum 88% and 97% quenching efficiency for 4-NPH, resp. among all the investigated NACs. The mechanistic investigation of NACs recognition suggested that the fluorescence quenching occurred via electron as well as energy transfer process. Furthermore, the ipso-hydroxylation of aryl/heteroarylboronic acids in presence of 1 and 2 gave up to 99% desired product yield within 15 min in our established protocol. In both cases, 1 and 2 are recyclable upto five cycles without any significant loss in their efficiency.

Chemistry – An Asian Journal 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, Computed Properties of 763120-58-7.

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

Beaulieu, Christian published the artcileIdentification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease, Recommanded Product: 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(24), 7444-7449, database is CAplus and MEDLINE.

Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease is described. The identified inhibitors bearing an amino nitrile warhead in P1 exhibit low nanomolar in vitro potency against cruzipain. Further SAR in P2 portion led to the identification of compounds, such as 26 (I), that have a unique selectivity profile against other cysteine proteases and offering new opportunities for safer treatment of Chagas disease.

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

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

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

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

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

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

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