(2R,4S)-2-Benzyl-5-(2-tert-butylsulfamoyl-phenyl)-4-hydroxy-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide | 181869-09-0

• 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: (2R,4S)-2-Benzyl-5-(2-tert-butylsulfamoyl-phenyl)-4-hydroxy-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
• 英文别名: (2R,4S)-2-benzyl-5-[2-(tert-butylsulfamoyl)phenyl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
• CAS: 181869-09-0
• 化学式: C₃₁H₃₈N₂O₅S
• 分子量: 550.719
• InChiKey: SAWLHUGNDHWIOE-VSUKXTEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R,4S)-2-Benzyl-5-(2-tert-butylsulfamoyl-phenyl)-4-hydroxy-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 (2R,4S)-2-Benzyl-4-hydroxy-5-(2-sulfamoyl-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
  参考文献：
  名称：

  Aromatic P1 replacements for the highly potent HIV-1 protease inhibitor CRIXIVAN®

  摘要：

  A series of analogs of CRIXIVAN(R) containing various aromatic P-1 ligands were prepared and evaluated for inhibition of the HIV-1 protease enzyme. These new compounds were found to be effective inhibitors at nanomolar concentrations in the in vitro enzyme inhibition assay as well as the whole cell assay. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00345-9
• 作为产物：
  描述：

  N-叔丁基苯磺酰胺 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 (2R,4S)-2-Benzyl-5-(2-tert-butylsulfamoyl-phenyl)-4-hydroxy-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
  参考文献：
  名称：

  Aromatic P1 replacements for the highly potent HIV-1 protease inhibitor CRIXIVAN®

  摘要：

  A series of analogs of CRIXIVAN(R) containing various aromatic P-1 ligands were prepared and evaluated for inhibition of the HIV-1 protease enzyme. These new compounds were found to be effective inhibitors at nanomolar concentrations in the in vitro enzyme inhibition assay as well as the whole cell assay. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00345-9

文献信息

• Aromatic P1 replacements for the highly potent HIV-1 protease inhibitor CRIXIVAN®
  作者：Craig A. Coburn、Mary Beth Young、Randall W. Hungate、Richard C.A. Isaacs、Joseph P. Vacca、Joel R. Huff

  DOI：10.1016/0960-894x(96)00345-9

  日期：1996.8

  A series of analogs of CRIXIVAN(R) containing various aromatic P-1 ligands were prepared and evaluated for inhibition of the HIV-1 protease enzyme. These new compounds were found to be effective inhibitors at nanomolar concentrations in the in vitro enzyme inhibition assay as well as the whole cell assay. Copyright (C) 1996 Elsevier Science Ltd