[(1S,2R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(1S,2R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate
• 化学式: C₃₇H₅₂ClN₃O₁₀
• 分子量: 734.3
• InChiKey: GEWFLWGDLGSWHE-IZLQAVAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  51
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• ANTICANCER MAYTANSINOIDS WITH TWO FUSED MACROCYCLIC RINGS
  申请人：Hong Kong Baptist University

  公开号：US20160289244A1

  公开（公告）日：2016-10-06

  This invention provides maytansinoids having improved tumor inhibition activity, in particular, the present invention provides a method of treatment of cancer, in particular colon cancer, using maytansinoid compounds having two fused macrocyclic rings.
• US9562059B2
  申请人：——

  公开号：US9562059B2

  公开（公告）日：2017-02-07