[(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-8-[(1R)-1-(azetidine-1-carbonyloxy)-2-methylpropyl]-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl] 3-(2,2,2-trifluoroethylamino)azetidine-1-carboxylate | 1334041-68-7

• 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: [(1S,4R,5R,6R,8R,10S,11R,12S,13R,16R,18S,21R)-8-[(1R)-1-(azetidine-1-carbonyloxy)-2-methylpropyl]-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl] 3-(2,2,2-trifluoroethylamino)azetidine-1-carboxylate
• CAS: 1334041-68-7
• 化学式: C₄₀H₆₂F₃N₃O₆
• 分子量: 737.944
• InChiKey: LTRVCRMYMVURCC-OSNSFUJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• Compounds useful for treating neurodegenerative disorders
  申请人：Bronk Brian Scott

  公开号：US20130060022A1

  公开（公告）日：2013-03-07

  The present invention provides compounds of formula I: or a pharmaceutically acceptable salt thereof, wherein R 1 and R 5 are as defined and described herein, compositions thereof, and methods of using the same.