(1S,2R,5R,10S,14S,20S)-8-cyano-N-ethyl-7,14-dihydroxy-1,2,6,6,10,17,17,20-octamethyl-13-oxotetracyclo[12.8.0.02,11.05,10]docosa-7,11-diene-20-carboxamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R,5R,10S,14S,20S)-8-cyano-N-ethyl-7,14-dihydroxy-1,2,6,6,10,17,17,20-octamethyl-13-oxotetracyclo[12.8.0.02,11.05,10]docosa-7,11-diene-20-carboxamide
• 化学式: C₃₄H₅₂N₂O₄
• 分子量: 552.8
• InChiKey: QCDOMROHPHTEGU-YAGSZRJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• C13-HYDROXY DERIVATIVES OF OLEANOLIC ACID AND METHODS OF USE THEREOF
  申请人：REATA PHARMACEUTICALS, INC.

  公开号：US20140088188A1

  公开（公告）日：2014-03-27

  Disclosed herein are novel C13-hydroxy derivatives of oleanolic acid, including those of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds. Methods and intermediates useful for making the compounds, and methods of using the compounds, for example, as antioxidant inflammation modulators, and compositions thereof are also provided.
• US9278912B2
  申请人：——

  公开号：US9278912B2

  公开（公告）日：2016-03-08