Digitoxigenon | 560-68-9

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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: Digitoxigenon
• 英文别名: 3-Dehydro-digitoxigenin；14-Hydroxy-3-oxocard-20(22)-enolide；3-[(5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 560-68-9；1102-88-1；6871-02-9；52153-38-5
• 化学式: C₂₃H₃₂O₄
• 分子量: 372.505
• InChiKey: REJBTXQSIQFRRE-AVYQLUFWSA-N

物化性质

• 熔点：
  204-205 °C
• 沸点：
  548.5±50.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS
  申请人：Langenhan Joseph M.

  公开号：US20090075842A1

  公开（公告）日：2009-03-19

  The present invention provides methods of producing libraries of compounds with enhanced desirable properties and diminished side effects as well as the compounds produced by the methods. In preferred embodiments, methods of the present invention use a universal chemical glycosylation method that employs reducing sugars and requires no protection or activation. In a preferred embodiment, the invention provides a library of neoglycoside digitoxin analogs that includes compounds with significantly enhanced cytotoxic potency toward human cancer cells and tumor-specificity, but are less potent Na + /K + -ATPase inhibitors in a human cell line than digitoxin.
• US7754874B2
  申请人：——

  公开号：US7754874B2

  公开（公告）日：2010-07-13
• US8344133B2
  申请人：——

  公开号：US8344133B2

  公开（公告）日：2013-01-01
• US8507411B2
  申请人：——

  公开号：US8507411B2

  公开（公告）日：2013-08-13