[(2S,3S,5R)-5-[(8R)-6-acetyl-8-methyl-7,8-dihydroimidazo[4,5-d][1,3]diazepin-3-yl]-3-methyloxolan-2-yl]methyl [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] hydrogen phosphate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: [(2S,3S,5R)-5-[(8R)-6-acetyl-8-methyl-7,8-dihydroimidazo[4,5-d][1,3]diazepin-3-yl]-3-methyloxolan-2-yl]methyl [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] hydrogen phosphate
• 化学式: C₃₅H₃₇N₆O₉P
• 分子量: 716.7
• InChiKey: IABCBFPVFJWYKL-NKZYZDHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  51
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  175
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• WATER-SOLUBLE CAMPTOTHECIN DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Zhou Wenqiang

  公开号：US20140155336A1

  公开（公告）日：2014-06-05

  The present invention relates to a water soluble derivative of camptothecin and preparation method thereof, the derivative having a structure of formula I and being appropriate in water solubility, and having anti-cancer activity and stability of lactonic ring. The present invention also relates to a method for synthesizing the compound and medical use of the compound.

  本发明涉及一种水溶性紫杉醇衍生物及其制备方法，所述衍生物具有式I的结构，在水溶性方面适宜，并具有抗癌活性和内酯环的稳定性。本发明还涉及一种合成该化合物的方法以及该化合物的医药用途。
• US9334299B2
  申请人：——

  公开号：US9334299B2

  公开（公告）日：2016-05-10