(6R,8R,9R,10S,11S,13R,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

• 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: (6R,8R,9R,10S,11S,13R,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
• 化学式: C₂₂H₂₉FO₄
• 分子量: 376.468
• InChiKey: FAOZLTXFLGPHNG-QJQCYIJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• COMPOUNDS AS RORyT MODULATORS AND USES THEREOF
  申请人：Littman Dan

  公开号：US20130065842A1

  公开（公告）日：2013-03-14

  Heterocyclic compounds, and pharmaceutical compositions thereof, are disclosed as RORγt modulators that have a formula represented by the following: and wherein n1, n2, R 1 , R 2 , R 3 , and R 4 are as described herein. These compounds may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, inflammatory conditions, autoimmune disorders, cancer, and graft-versus-host disease.
• US9101600B2
  申请人：——

  公开号：US9101600B2

  公开（公告）日：2015-08-11