TAK 285

• 常用名: TAK 285
• 英文名: TAK-285
• CAS号: 871026-44-7
• 分子量: 547.957
• 密度: 1.4±0.1 g/cm3
• 沸点: 705.5±60.0 °C at 760 mmHg
• 分子式: C₂₆H₂₅ClF₃N₅O₃
• 熔点: 167-169℃
• 闪点: 380.4±32.9 °C

TAK 285用途

TAK-285是HER2和EGFR(HER1)抑制剂,IC50为17 nM和23 nM,比对HER4的抑制性高10倍以上,对MEK1/5,c-Met,Aurora B,Lck和CSK的抑制性较低。

TAK 285名称

• 中文名: N-[2-[4-[[3-氯-4-[3-(三氟甲基)苯氧基]苯基]氨基]-5H-吡咯并[3,2-d]嘧啶-5-基]乙基]-3-羟基-3-甲基丁酰胺
• 英文名: N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide

TAK 285生物活性

• 描述: TAK-285是HER2和EGFR(HER1)抑制剂,IC50为17 nM和23 nM,比对HER4的抑制性高10倍以上,对MEK1/5,c-Met,Aurora B,Lck和CSK的抑制性较低。
• 相关类别:
  研究领域 >> 癌症
• 靶点:

  EGFR:23 nM (IC50)

  HER2:17 nM (IC50)

• 参考文献:

  [1]. Ishikawa T, et al. Design and synthesis of novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors bearing a pyrrolo[3,2-d]pyrimidine scaffold. J Med Chem, 2011, 54(23), 8030-8050.

  [2]. Aertgeerts K, et al. Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein. J Biol Chem, 2011, 286(21), 18756-18765.

  [3]. Erdo F, et al. Verification of brain penetration of the unbound fraction of a novel HER2/EGFR dual kinase inhibitor (TAK-285) by microdialysis in rats. Brain Res Bull, 2012, 87(4-5), 413-419.

TAK 285物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 705.5±60.0 °C at 760 mmHg
• 熔点: 167-169℃
• 分子式: C₂₆H₂₅ClF₃N₅O₃
• 分子量: 547.957
• 闪点: 380.4±32.9 °C
• 精确质量: 547.159790
• PSA: 104.79000
• LogP: 3.56
• InChIKey: ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
• SMILES: CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21
• 外观性状: 粉末
• 蒸汽压: 0.0±2.4 mmHg at 25°C
• 折射率: 1.608
• 储存条件: -20℃

TAK 285英文别名

• 3poz
• 3rcd
• n-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5h-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide
• TAK-285
• N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
• 03P
• Butanamide, N-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methyl-