(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydroxymethyl-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one | 167824-51-3

• 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: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydroxymethyl-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one
• 英文别名: 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-((4-(hydroxymethyl)phenyl)methyl)-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-；(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-[[4-(hydroxymethyl)phenyl]methyl]-3-(5-hydroxypentyl)-1,3-diazepan-2-one
• CAS: 167824-51-3
• 化学式: C₃₂H₄₀N₂O₅
• 分子量: 532.68
• InChiKey: CBKBMLZVZNDFDQ-VKONIRKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  105
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-((四氢吡喃-2-基)氧基)-1-溴戊烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(4-hydroxymethyl-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one
  参考文献：
  名称：

  Functionalized aliphatic P2/P2′ analogs of HIV-1 protease inhibitor DMP323

  摘要：

  A series of analogs of HIV protease inhibitor DMP323 containing functionalized aliphatic P2/P2' groups was prepared and evaluated for HN protease inhibition and antiviral activity in a cell-based assay. Asymmetric compounds with a 5-hydroxypentyl substituent at P2 and a benzylic substituent at P2' showed increased potency over the corresponding symmetrically substituted analogs. (C) 1997 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00165-0

文献信息

• Functionalized aliphatic P2/P2′ analogs of HIV-1 protease inhibitor DMP323
  作者：Joanne M. Smallheer、Robert J. McHugh、Chong-Hwan Chang、Robert F. Kaltenbach、Tabitha V. Worley、Ronald M. Klabe、Lee T. Bacheler、Marlene M. Rayner、Susan Erickson-Viitanen、Steven P. Seitz

  DOI：10.1016/s0960-894x(97)00165-0

  日期：1997.6

  A series of analogs of HIV protease inhibitor DMP323 containing functionalized aliphatic P2/P2' groups was prepared and evaluated for HN protease inhibition and antiviral activity in a cell-based assay. Asymmetric compounds with a 5-hydroxypentyl substituent at P2 and a benzylic substituent at P2' showed increased potency over the corresponding symmetrically substituted analogs. (C) 1997 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd.