[(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] dihydrogen phosphite

• 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: [(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] dihydrogen phosphite
• 化学式: C₂₀H₁₇N₂O₆P
• 分子量: 412.3
• InChiKey: NFDSXWAHBSDQID-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• CAMPTOTHECIN DERIVATIVE, AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION AND APPLICATION
  申请人：Zhou Wenqiang

  公开号：US20140107342A1

  公开（公告）日：2014-04-17

  The present invention relates to a camptothecin derivative having a structure as represented by Formula (II), in which X n+ is selected from H + , K + , Na + , Li + , Mg 2+ , Ca 2+ , Zn 2+ , Fe 3+ , and ammonium ion, while R 1 , R 2 , R 3 , and R 4 independently represent a hydrogen, a hydroxyl group, a nitro group, a cyano group, a halogen, a carboxyl group, an optionally substituted amino group, a silicon-containing group, a monocyclic aryloxy group, an optionally substituted C1-C6 alkoxy group, an optionally substituted C1-C6 alkylcarbonyl group, an optionally substituted C1-C6 alkyl group, or an optionally substituted C3-C6 cycloalkyl group; alternatively, R 1 and R 2 are connected via one to three other atoms to form a heterocyclic ring; and in another embodiment, R 3 and R 4 are oxygen atoms and connected via —O—(CH 2 ) n —O—, forming a ring, in which n=I or 2. The compound has great water-solubility, chemical stability, and great efficacy in treatment on cancer.

  本发明涉及一种具有如下式（II）所表示结构的紫杉醌衍生物，其中X n+ 选自H + 、K + 、Na + 、Li + 、Mg 2+ 、Ca 2+ 、Zn 2+ 、Fe 3+ 和铵离子，而R 1 、R 2 、R 3 和R 4 独立地代表氢、羟基、硝基、氰基、卤素、羧基、可选择取代的氨基、含硅基团、单环芳氧基团、可选择取代的C1-C6烷氧基团、可选择取代的C1-C6烷基羰基团、可选择取代的C1-C6烷基团，或可选择取代的C3-C6环烷基团；或者，R 1 和R 2 通过一到三个其他原子连接形成杂环环；在另一实施例中，R 3 和R 4 是氧原子，并通过—O—(CH 2 ) n —O—连接形成一个环，其中n=1或2。该化合物具有很高的水溶性、化学稳定性，并在癌症治疗中具有很高的功效。
• CAMPTOTHECIN DERIVATIVE, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：Zhou, Wenqiang

  公开号：EP2727927B1

  公开（公告）日：2016-07-20
• EP2727927A1
  申请人：——

  公开号：EP2727927A1

  公开（公告）日：2014-05-07
• US9266911B2
  申请人：——

  公开号：US9266911B2

  公开（公告）日：2016-02-23