波舒替尼异构体1 | 1391063-17-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 波舒替尼异构体1
• 中文别名: 博舒替尼异构体；博舒替尼杂质；伯舒替尼异构体1，游离碱；伯舒替尼杂质5
• 英文名称: 4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile
• 英文别名: 4-(3,5-dichloro-4-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
• CAS: 1391063-17-4
• 化学式: C₂₆H₂₉Cl₂N₅O₃
• 分子量: 530.4
• InChiKey: YCLIWTLPTXAGPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  8

安全信息

• WGK Germany：
  3

文献信息

• SENSITIZATION OF CANCER CELLS TO DNA DAMAGE BY INHIBITING KINASES ESSENTIAL FOR DNA DAMAGE CHECKPOINT CONTROL
  申请人：Institute for Cancer Research d/b/a The Research Institute of Fox Chase Cancer Center

  公开号：US20150133466A1

  公开（公告）日：2015-05-14

  The invention provides methods for overriding cell cycle arrest in a tumor cell, which comprise inducing DNA damage in the cell, and contacting the cell with an amount of bosutinib or a bosutinib isomer effective to inhibit one or more kinase constituents of a DNA damage checkpoint pathway. The invention also provides novel bosutinib isomers, as well as compositions of the novel isomers and the bosutinib isomer 3,5-dichloro-4-methoxyaniline.
• US9421203B2
  申请人：——

  公开号：US9421203B2

  公开（公告）日：2016-08-23