[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 1,3-diazinane-1-carboxylate | 1385012-01-0

• 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,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 1,3-diazinane-1-carboxylate
• CAS: 1385012-01-0
• 化学式: C₂₉H₄₂N₂O₅
• 分子量: 498.663
• InChiKey: AOSZMXCSDUZTBD-CZKHRBRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• BUFADIENOLIDE DERIVATIVES, PREPARING PROCESS THEREOF, COMPOSITION COMPRISING THE SAME AND THE USE THEREOF
  申请人：Hu Lihong

  公开号：US20130005696A1

  公开（公告）日：2013-01-03

  The present invention provides a class of bufadienolide derivatives representing by the following formula I or pharmaceutically acceptable salts thereof, the preparing process thereof, pharmaceutical composition comprising the same and the use thereof. The bufadienolide derivatives have inhibitory activities against human-derived tumor cell lines, and thus can be used as a drug for treating malignancies.

  本发明提供了一类以以下公式I表示的蟾毒甾醇衍生物或其药用盐，其制备方法，包含相同的药物组合物以及其用途。蟾毒甾醇衍生物对人源肿瘤细胞系具有抑制活性，因此可用作治疗恶性肿瘤的药物。