(E)-N-(2-Dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-acrylamide

• 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: (E)-N-(2-Dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-acrylamide
• 英文别名: (E)-N-[2-(dimethylamino)ethyl]-3-phenyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]prop-2-enamide
• 化学式: C₃₅H₃₉N₃O
• 分子量: 517.714
• InChiKey: XIMFQVXENHJKEO-OQKWZONESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  39
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(4-bromobenzyl)-2-phenylethan-1-amine 、 4-甲酰基苯硼酸 、 N,N-二甲基乙二胺 、 3-苯基-2-丙烯酰氯 生成 (E)-N-(2-Dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-acrylamide
  参考文献：
  名称：

  Discovery of a potent and selective 5-ht5A receptor antagonist by high-throughput chemistry

  摘要：

  High-throughput screening of an array of biphenylmethylamines synthesised by high-throughput solid-phase chemistry resulted in the identification of compounds with high-affinity for the 5-ht(5A) receptor. The structure-activity relationship within this series and further array synthesis led to the identification of the biphenylmethylamine derivative 11, a potent and selective 5-ht(5A) receptor antagonist. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.024