(2E)-2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2E)-2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide
• 英文别名: 2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
• 化学式: C₁₅H₁₅ClN₄O
• 分子量: 302.763
• InChiKey: QLZIJPLTRJOVDN-DJKKODMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  86
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻甲基苄醇 在 caesium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (2E)-2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide
  参考文献：
  名称：

  CCR5 receptor antagonists: Discovery and SAR study of guanylhydrazone derivatives

  摘要：

  High throughput screening (HTS) led to the identification of the guanylhydrazone of 2-(4-chlorobenzyloxy)-5-bromobenzaldehyde as a CCR5 receptor antagonist. Initial modifications of the guanylhydrazone series indicated that substitution of the benzyl group at the para-position was well tolerated. Substitution at the 5-position of the central phenyl ring was critical for potency. Replacement of the guanylhydrazone group led to the discovery of a novel series of CCR5 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.052

文献信息

• CCR5 receptor antagonists: Discovery and SAR study of guanylhydrazone derivatives
  作者：Robert G. Wei、Damian O. Arnaiz、Yuo-Ling Chou、Dave Davey、Laura Dunning、Wheeseong Lee、Shou-Fu Lu、James Onuffer、Bin Ye、Gary Phillips

  DOI：10.1016/j.bmcl.2006.09.052

  日期：2007.1

  High throughput screening (HTS) led to the identification of the guanylhydrazone of 2-(4-chlorobenzyloxy)-5-bromobenzaldehyde as a CCR5 receptor antagonist. Initial modifications of the guanylhydrazone series indicated that substitution of the benzyl group at the para-position was well tolerated. Substitution at the 5-position of the central phenyl ring was critical for potency. Replacement of the guanylhydrazone group led to the discovery of a novel series of CCR5 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.