[(3S,8S,9S,10R,13R,14S,17R)-17-[5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [(3S,8S,9S,10R,13R,14S,17R)-17-[5-[bis(2-chloroethyl)carbamoyloxy]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
• 化学式: C₄₇H₇₉Cl₂NO₄
• 分子量: 793.0
• InChiKey: ZYRFGAQSKXTMJV-BHWALJPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  54
• 可旋转键数：
  27
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Derivatives of steroid compounds linked to cyotoxic agents and process for their preparation
  申请人：Merck & Co., Inc.

  公开号：EP0105404A1

  公开（公告）日：1984-04-18

  The present application is concerned with compounds useful as carriers of cytotoxic agents. More particularly it deals with derivatives of steroid compounds having a 5-androstene carbon skeleton and having an oleyl ester at the 3-position and having a 17-carbamyl alkyl substituent which linked to cytotoxic agents for delivery to cancer cells exclusively via the low-density lipoprotein (LDL) pathway.

  本申请涉及可用作细胞毒剂载体的化合物。更具体地说，它涉及具有 5-雄烯碳骨架、3-位上具有油酯、17-氨甲酰烷基取代基的甾体化合物的衍生物，这些衍生物与细胞毒剂相连，可完全通过低密度脂蛋白（LDL）途径输送到癌细胞。
• US4560512A
  申请人：——

  公开号：US4560512A

  公开（公告）日：1985-12-24