3β-O-[(1'R,3'S)-1',2',2'-trimethyl-cyclopentane-3'-carboxylic acid-1'-carboxyl]-17β-[N-tert-butyloxycarbonyl-amino]-21-oxolup-18-ene | 1169849-32-4

• 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-[(1'R,3'S)-1',2',2'-trimethyl-cyclopentane-3'-carboxylic acid-1'-carboxyl]-17β-[N-tert-butyloxycarbonyl-amino]-21-oxolup-18-ene
• 英文别名: (1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-(tert-butoxycarbonylamino)-1-isopropyl-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]oxycarbonyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid；(1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxycarbonyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
• CAS: 1169849-32-4
• 化学式: C₄₄H₆₉NO₇
• 分子量: 724.034
• InChiKey: UQAGADGQSZFMQT-LCBAGARESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL LUPANE DERIVATIVES
  申请人：Moinet Christophe

  公开号：US20110077227A1

  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，并且其药学上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、或其药学上可接受的盐或溶剂化合合物的治疗有效量来预防或治疗HIV感染的方法。
• US8269026B2
  申请人：——

  公开号：US8269026B2

  公开（公告）日：2012-09-18