N-(3-{(2S)-3-hydroxy-2-[{[4-(hydroxymethyl)phenyl]sulfonyl}(propan-2-yl)amino]propyl}phenyl)-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide | 1374041-05-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: N-(3-{(2S)-3-hydroxy-2-[{[4-(hydroxymethyl)phenyl]sulfonyl}(propan-2-yl)amino]propyl}phenyl)-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide
• 英文别名: methyl N-[(2S)-1-[3-[(2S)-3-hydroxy-2-[[4-(hydroxymethyl)phenyl]sulfonyl-propan-2-ylamino]propyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• CAS: 1374041-05-0
• 化学式: C₃₆H₄₁N₃O₇S
• 分子量: 659.803
• InChiKey: OYOZDSNPYANNTG-VBTAUBHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  47
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] SULFONAMIDES AS HIV PROTEASE INHIBITORS<br/>[FR] SULFONAMIDES EN TANT QU'INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：MERCK CANADA INC

  公开号：WO2012055034A1

  公开（公告）日：2012-05-03

  Compounds of Formula I are disclosed: wherein L, A, R1, R2, R3A, R3B, R4A, R4B, R5, R6 and R7 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  已披露公式I的化合物：其中L、A、R1、R2、R3A、R3B、R4A、R4B、R5、R6和R7在此处被定义。公式I包括HIV蛋白酶抑制剂和其他可在体内代谢为HIV蛋白酶抑制剂的化合物。这些化合物及其药用盐可用于预防或治疗HIV感染以及预防、治疗或延缓艾滋病的发作。这些化合物及其盐可作为药物组合物的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• SULFONAMIDES AS HIB PROTEASE INHIBITORS
  申请人：Moradei Oscar M.

  公开号：US20140018326A1

  公开（公告）日：2014-01-16

  Compounds of Formula I are disclosed: wherein L, A, R 1 , R 2 , R 3A , R 3B , R 4A , R 4B , R 5 , R 6 and R 7 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公开了化学式I的化合物：其中L、A、R1、R2、R3A、R3B、R4A、R4B、R5、R6和R7的定义如下。公式I所涵盖的化合物包括HIV蛋白酶抑制剂和其他可以在体内代谢成HIV蛋白酶抑制剂的化合物。这些化合物及其药学上可接受的盐对于预防或治疗HIV感染以及预防、治疗或延迟艾滋病的发作非常有用。这些化合物及其盐可以作为药物组成部分使用，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• US9187415B2
  申请人：——

  公开号：US9187415B2

  公开（公告）日：2015-11-17