[(3β)-3-(4-carboxy-3,3-dimethyl-1-oxobutoxy)-N-[3-(4-methyl-1-piperazinyl)propyl]lup-20(29)-en-28-yl]carboxamide | 1025069-24-2

• 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: [(3β)-3-(4-carboxy-3,3-dimethyl-1-oxobutoxy)-N-[3-(4-methyl-1-piperazinyl)propyl]lup-20(29)-en-28-yl]carboxamide
• 英文别名: 5-[[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-[2-[3-(4-methylpiperazin-1-yl)propylamino]-2-oxoethyl]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,3-dimethyl-5-oxopentanoic acid
• CAS: 1025069-24-2
• 化学式: C₄₆H₇₇N₃O₅
• 分子量: 752.134
• InChiKey: FWMYOMDGUXXKAO-DVOPVCHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  54
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Extended Triterpene Derivatives
  申请人：Myrexis, Inc.

  公开号：US20170096446A1

  公开（公告）日：2017-04-06

  The present invention concerns novel pharmaceutically active triterpene derivatives, pharmaceutical compositions containing the same, their use as medicaments, and the use of the compounds for the manufacture of specific medicaments. The present invention also concerns a method of treatment involving administration of the compounds. Specifically, the compounds are derivatives of betulinic acid having substitutions at one or more of the C-3, C2-8 and C-19 positions as further described herein. The novel compounds are useful as antiretroviral agents. In particular, the novel compounds are useful for the treatment of Human Immunodeficiency Virus (HIV).
• US9505800B2
  申请人：——

  公开号：US9505800B2

  公开（公告）日：2016-11-29