(4-丁氧基-1H-吡唑并[3,4-b]吡啶-5-基)(2,6-二氟-4-甲基苯基)-甲酮

• 常用名: (4-丁氧基-1H-吡唑并[3,4-b]吡啶-5-基)(2,6-二氟-4-甲基苯基)-甲酮
• 英文名: BMS-265246
• CAS号: 582315-72-8
• 分子量: 345.343
• 密度: 1.3±0.1 g/cm3
• 沸点: 552.9±50.0 °C at 760 mmHg
• 分子式: C₁₈H₁₇F₂N₃O₂
• 熔点: N/A
• 闪点: 288.2±30.1 °C

用途

BMS-265246是CDK1/2抑制剂,对CDK1/cyclin B和CDK2/cyclin E的IC50分别为6 nM和9 nM。

名称

• 中文名: (4-丁氧基-1H-吡唑并[3,4-b]吡啶-5-基)(2,6-二氟-4-甲基苯基)-甲酮
• 英文名: (4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone

生物活性

• 描述: BMS-265246是CDK1/2抑制剂,对CDK1/cyclin B和CDK2/cyclin E的IC50分别为6 nM和9 nM。
• 相关类别:
  研究领域 >> 癌症
• 靶点实验:

  CDK1/cycB:6 nM (IC50)

  CDK2/Cyc E:9 nM (IC50)

  CDK4/cycD:230 nM (IC50)

• 参考文献:

  [1]. Misra RN, Xiao H, Rawlins DB et al. 1H-Pyrazolo[3,4-b]pyridine inhibitors of cyclin-dependent kinases: highly potent 2,6-Difluorophenacyl analogues. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2405-8.

物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 552.9±50.0 °C at 760 mmHg
• 分子式: C₁₈H₁₇F₂N₃O₂
• 分子量: 345.343
• 闪点: 288.2±30.1 °C
• 精确质量: 345.128876
• PSA: 67.87000
• LogP: 3.51
• InChIKey: SCFMWQIQBVZOQR-UHFFFAOYSA-N
• SMILES: CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2n[nH]cc12
• 外观性状: 粉末
• 蒸汽压: 0.0±1.5 mmHg at 25°C
• 折射率: 1.595
• 储存条件: -20℃

靶点实验

查看更多实验

实验名称：Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro... 来源：NCGC 靶标：N/A External Id：SERCaMPGLuc-p1-antagonist

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Thermal Shift Assay. Domain: start/stop: M1-L298 来源：ChEMBL 靶标：Cyclin-dependent kinase 2 External Id：CHEMBL5062802

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Primary qHTS for Identification of Small Molecule Activators of Huntingtin-Antisense ... 来源：NCGC External Id：huntington-HTTAS8-p1-FF-overN

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：Confirmatory qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS2-PP-HEK293ACE2-f4-mipe-npc

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英文别名

• cs-0922
• (4-Butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)(2,6-difluoro-4-methylphenyl)methanone
• unii-4gf4a623rf
• BMS-265246