(4R,5S,6S,7R)-4,7-Dibenzyl-1-cyclopropylmethyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one | 167824-61-5

• 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-1-cyclopropylmethyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one
• 英文别名: 2H-1,3-Diazepin-2-one, 1-(cyclopropylmethyl)hexahydro-5,6-dihydroxy-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-；(4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(5-hydroxypentyl)-1,3-diazepan-2-one
• CAS: 167824-61-5
• 化学式: C₂₈H₃₈N₂O₄
• 分子量: 466.621
• InChiKey: WWTSWTPNILRSJX-XDZXDJIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  4

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-1-cyclopropylmethyl-5,6-dihydroxy-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