S-(cyanomethyl) (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-phenyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carbothioate | 1185143-18-3

• 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: S-(cyanomethyl) (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-phenyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carbothioate
• 英文别名: S-(cyanomethyl) (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carbothioate
• CAS: 1185143-18-3
• 化学式: C₂₉H₂₉F₂NO₅S
• 分子量: 541.616
• InChiKey: IROBKTKPCZDJFT-BNCWFAPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• 16 Alpha, 17 Alpha-Acetal Glucocorticosteroidal Derivatives and their Use
  申请人：Burkamp Frank

  公开号：US20110294766A1

  公开（公告）日：2011-12-01

  The present invention provides compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the specification, a process for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物，其中R1、R2、R3、R4、R5和R6如规范中所定义，其制备方法，含有它们的制药组合物以及它们在治疗中的使用。