darunavir | 253266-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: darunavir
• 英文别名: TMC126；[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[4-(hydroxymethyl)phenyl]sulfonyl-isobutyl-amino]propyl]carbamate；[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[4-(hydroxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
• CAS: 253266-02-3
• 化学式: C₂₈H₃₈N₂O₈S
• 分子量: 562.684
• InChiKey: VSKFMILERNHCAA-UIPNDDLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  39
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• PROTEASE INHIBITORS
  申请人：Webb, II Robert R.

  公开号：US20120108529A1

  公开（公告）日：2012-05-03

  Compounds useful as protease inhibitors are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are useful for inhibiting HIV protease enzymes, and are therefore useful in slowing the proliferation of HIV.