(15E)-11-oxa-3,19,24-triazatetracyclo[15.6.2.05,10.021,25]pentacosa-1(24),5,7,9,15,17(25),18,20,22-nonaen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (15E)-11-oxa-3,19,24-triazatetracyclo[15.6.2.05,10.021,25]pentacosa-1(24),5,7,9,15,17(25),18,20,22-nonaen-2-one
• 化学式: C₂₁H₁₉N₃O₂
• 分子量: 345.401
• InChiKey: ASVDIATZMVBTPY-FARCUNLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-5-(tributylstannyl)pent-4-en-1-ol 、 8-bromo-N-[(2-hydroxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide 在 三乙胺 、 偶氮二甲酸二乙酯 、 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (15E)-11-oxa-3,19,24-triazatetracyclo[15.6.2.05,10.021,25]pentacosa-1(24),5,7,9,15,17(25),18,20,22-nonaen-2-one
  参考文献：
  名称：

  Design and synthesis of a potent macrocyclic 1,6-napthyridine anti-human cytomegalovirus (HCMV) inhibitors

  摘要：

  A novel class of macrocyclic 1,6-napthyridines designed to adopt the presumed bioactive conformation of anti-HCMV acyclic 1,6-napthyridines are described. Both 14- and 15-membered macrocycles were shown to be highly potent against HCMV HSV-1 and HSV-2. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.050

文献信息

• Design and synthesis of a potent macrocyclic 1,6-napthyridine anti-human cytomegalovirus (HCMV) inhibitors
  作者：Guy Falardeau、Hugo Lachance、Annie St-Pierre、Constantin G. Yannopoulos、Marc Drouin、Jean Bédard、Laval Chan

  DOI：10.1016/j.bmcl.2005.01.050

  日期：2005.3

  A novel class of macrocyclic 1,6-napthyridines designed to adopt the presumed bioactive conformation of anti-HCMV acyclic 1,6-napthyridines are described. Both 14- and 15-membered macrocycles were shown to be highly potent against HCMV HSV-1 and HSV-2. (c) 2005 Elsevier Ltd. All rights reserved.