(2R,4S)-2-Benzyl-4-hydroxy-5-(2-methylsulfanyl-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide | 181869-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methylsulfanyl-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
• 英文别名: (2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylsulfanylphenyl)pentanamide
• CAS: 181869-06-7
• 化学式: C₂₈H₃₁NO₃S
• 分子量: 461.625
• InChiKey: ZSYPGADQMCKYDM-LADVCJOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  94.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methylsulfanyl-phenyl)-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide 在 Oxone 作用下， 生成 (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methanesulfonyl-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：

  (R)-2-Benzyl-1-((3aS,8aR)-2,2-dimethyl-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-3-yl)-3-(S)-oxiranyl-propan-1-one 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 (2R,4S)-2-Benzyl-4-hydroxy-5-(2-methylsulfanyl-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

文献信息

• Hydroxy substituted amides for the treatment of alzheimer's disease
  申请人：Beck P. James

  公开号：US20050038019A1

  公开（公告）日：2005-02-17

  The present invention is a method of treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of known compounds of Formula (I), wherein, A, R, J, and n are as defined herein.

  本发明涉及一种治疗阿尔茨海默病和其他疾病，和/或抑制β-分泌酶酶活性，和/或抑制哺乳动物中A beta肽沉积的方法，通过使用公知的化合物式（I）中定义的A，R，J和n，其中，A，R，J和n的定义如本文所述。
• 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