(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-methoxymethoxy-[1,3]diazepan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-methoxymethoxy-[1,3]diazepan-2-one
• 英文别名: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-bis(methoxymethoxy)-1,3-diazepan-2-one
• 化学式: C₂₃H₃₀N₂O₅
• 分子量: 414.502
• InChiKey: CHLILMCNISNIBN-CZYKHXBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78.05
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-methoxymethoxy-[1,3]diazepan-2-one 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 生成 (4R,5S,6S,7R)-1,3-Diallyl-4,7-dibenzyl-5,6-dihydroxy-[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.