(2S,3S,5R)-5-Amino-2-dibenzylamino-6-methyl-1-phenyl-heptan-3-ol | 497107-47-8

• 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: (2S,3S,5R)-5-Amino-2-dibenzylamino-6-methyl-1-phenyl-heptan-3-ol
• CAS: 497107-47-8
• 化学式: C₂₈H₃₆N₂O
• 分子量: 416.607
• InChiKey: NNDTWQZDBSBURL-PKTNWEFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  31.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.49
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2S,3S,5R)-5-Amino-2-dibenzylamino-6-methyl-1-phenyl-heptan-3-ol 在 palladium dihydroxide 、 甲酸铵 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 (2S,3S,5S)-2-(2,6-dimethylphenoxyacetyl)amino-3-hydroxy-5-(t-butyloxycarbonylamino)-1-phenyl-6-methylheptane
  参考文献：
  名称：

  Novel lopinavir analogues incorporating non-Aromatic P-1 side chains—Synthesis and structure–Activity relationships

  摘要：

  The HIV protease inhibitor Lopinavir has a pseudosymmetric core unit incorporating benzyl groups at both P-1, P-1' positions. A series of analogues incorporating non-aromatic side chains at the P-1 position were synthesized and the structure-activity relationships explored. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00643-1
• 作为产物：
  描述：

  4-S-N,N-二苄基氨基-3-氧代-5-苯基戊腈 在 sodium tetrahydroborate 、 甲烷磺酸 、 三乙醇胺 作用下， 以 乙二醇二甲醚 为溶剂， 生成 (2S,3S,5R)-5-Amino-2-dibenzylamino-6-methyl-1-phenyl-heptan-3-ol
  参考文献：
  名称：

  Novel lopinavir analogues incorporating non-Aromatic P-1 side chains—Synthesis and structure–Activity relationships

  摘要：

  The HIV protease inhibitor Lopinavir has a pseudosymmetric core unit incorporating benzyl groups at both P-1, P-1' positions. A series of analogues incorporating non-aromatic side chains at the P-1 position were synthesized and the structure-activity relationships explored. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00643-1

文献信息

• Retroviral protease inhibiting compounds
  申请人：Abbott Laboratories

  公开号：EP1170289A2

  公开（公告）日：2002-01-09

  A compound comprising a substituent of the formula (II) is disclosed as an HIV protease inhibitor. Intermediates for making such compounds and processes for making such intermediates are also disclosed.

  披露了一种包含公式（II）取代基的化合物，作为一种HIV蛋白酶抑制剂。还披露了用于制造此类化合物的中间体以及制造此类中间体的过程。