methyl 2-[(9S)-4,5,13-trimethyl-7-(4-piperazin-1-ylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 2-[(9S)-4,5,13-trimethyl-7-(4-piperazin-1-ylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
• 化学式: C₂₄H₂₈N₆O₂S
• 分子量: 464.6
• InChiKey: OPUFPOZLFPSXJL-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20210284654A1

  公开（公告）日：2021-09-16

  Provided are a compound superior in a cytotoxic action on cancer cells, an action inducing degradation of BET protein in cancer cells, and an inhibitory action on the binding of BET protein and acetylated histone, and useful as an anticancer agent, a BET protein degradation inducer or a BET protein inhibitor. A compound represented by the following formula (I) wherein each symbol is as defined in the specification, or a pharmacologically acceptable salt thereof