(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10-hexaene-14,18-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10-hexaene-14,18-dione
• 化学式: C₂₀H₁₈N₂O₄
• 分子量: 350.4
• InChiKey: GQQKIIXMBHWQMU-DHRDCHLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• CAMPTOTHECIN COMPOUND CONTAINING STABLE 7-MEMBERED LACTONE RING, PREPARATION METHOD AND USE
  申请人：East China Normal University

  公开号：EP2700642A1

  公开（公告）日：2014-02-26

  Provided are a camptothecin compound containing 7-membered lactone ring, as shown in general formula I, and pharmaceutically acceptable salt thereof, as well as the preparation method and use thereof. In general formula I, R1 is H, a C1∼C3 alkyl, acetyl or propionyl; R2 is H, a C1∼C6 alkyl, a C3~C6 cycloalkyl, piperidyl; or a C1∼C6 alkyl substituted by an amino; R3 is H, a C1∼C3 alkyl, or a C1∼C6 alkyl substituted by an amino; R4 is H, a hydroxyl, or a C1∼C6 alkoxy; R5 is H, or a C1∼C6 alkoxyl; or R4 and R5 are linked to each other to form -OCH2O- or -OCH2CH2O-. The compound has good anti-tumor activity, and can be clinically used via oral administration, intravenous injection, and intramuscular injection, among others.

  提供一种含有7元环内酯环的喜树碱化合物，如通式I所示，以及其药学上可接受的盐、制备方法和用途。在通式I中，R1为H、C1∼C3烷基、乙酰基或丙酰基；R2为H、C1∼C6烷基、C3~C6环烷基、哌啶基；或被氨基取代的C1∼C6烷基；R3为H、C1∼C3烷基或被氨基取代的C1∼C6烷基；R4为H、羟基或C1∼C6烷氧基；R5为H或C1∼C6烷氧基；或R4和R5相连形成-OCH2O-或-OCH2CH2O-。该化合物具有良好的抗肿瘤活性，可通过口服、静脉注射、肌肉注射等途径在临床上使用。
• US8110179B2
  申请人：——

  公开号：US8110179B2

  公开（公告）日：2012-02-07
• US9115150B2
  申请人：——

  公开号：US9115150B2

  公开（公告）日：2015-08-25