4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-[[5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid | 1449796-21-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-[[5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]methyl]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid
• CAS: 1449796-21-7
• 化学式: C₄₄H₅₈F₃N₃O₆
• 分子量: 781.956
• InChiKey: FOHOJGWVVCWOJU-OXIYAVSCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  56
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  12

文献信息

• LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF
  申请人：LU Feng

  公开号：US20150011517A1

  公开（公告）日：2015-01-08

  The present invention relates to a lupane triterpenoid derivatives and pharmaceutical use thereof, specifically relates to a lupane triterpenoid derivatives of formula (I)˜(III), a pharmaceutical composition and a combination preparation comprising a lupane triterpenoid derivatives or a pharmaceutically acceptable salt thereof in a therapeutically-effective dose, particularly relates to the use in preparation of a medicament for the treatment of HIV-1/AIDS.

  本发明涉及鲁班萜三萜衍生物及其药用，具体涉及公式(I)˜(III)的鲁班萜三萜衍生物、含有鲁班萜三萜衍生物或其药用可接受盐的药物组合物和联合制剂，以治疗有效剂量中含有鲁班萜三萜衍生物或其药用可接受盐，特别涉及用于制备治疗HIV-1/AIDS的药物的用途。
• US9428542B2
  申请人：——

  公开号：US9428542B2

  公开（公告）日：2016-08-30