3β-O-(3',3'-dimethylsuccinyl)-21-oxolup-18-en-28-oic acid N-[2-(3-isopropyl-ureido)-ethyl]-acetamide | 1169570-21-1

• 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-O-(3',3'-dimethylsuccinyl)-21-oxolup-18-en-28-oic acid N-[2-(3-isopropyl-ureido)-ethyl]-acetamide
• 英文别名: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-3a-[2-(isopropylcarbamoylamino)ethylcarbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid；4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-[2-(propan-2-ylcarbamoylamino)ethylcarbamoyl]-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: 1169570-21-1
• 化学式: C₄₂H₆₇N₃O₇
• 分子量: 726.01
• InChiKey: DMQLFRWMSBPNKN-TWMJUEBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  52
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF
  申请人：Moinet Christophe

  公开号：US20110077228A1

  公开（公告）日：2011-03-31

  The invention relates to 21-keto triterpene compounds of formula (I): wherein R 1 , X and Y are as defined herein, and pharmaceutically acceptable salts and solvates thereof. These compounds exhibit significant anti-HIV activity. Thus, the invention also relates to methods for prevention or treatment of HIV infections by administering therapeutically effective amounts of a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof to a subject in need of such treatment.

  该发明涉及式(I)的21-酮三萜化合物：其中R1、X和Y如本文所定义，并且其药用可接受的盐和溶剂化合物。这些化合物表现出显著的抗HIV活性。因此，该发明还涉及通过向需要此类治疗的受试者施用式(I)的化合物或其药用可接受的盐或溶剂，来预防或治疗HIV感染的方法。
• US8431556B2
  申请人：——

  公开号：US8431556B2

  公开（公告）日：2013-04-30