N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridyl)-2-quinoxaline-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridyl)-2-quinoxaline-carboxamide
• 英文别名: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylquinoxaline-2-carboxamide
• 化学式: C₂₇H₂₈N₆O₂
• 分子量: 468.558
• InChiKey: WMHMRZFMWZZEED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-氯-N-吡啶-2-基乙酰胺 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醚 、 乙酸乙酯 为溶剂， 反应 3.08h， 生成 N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridyl)-2-quinoxaline-carboxamide
  参考文献：
  名称：

  Moderate chemical modifications of WAY-100635 improve the selectivity for 5-HT1A versus D4 receptors

  摘要：

  The selectivity for 5-HT1A versus D-4 receptors is significantly increased when the basic side chain of WAY-100635 is replaced by a 4-phenylpiperazine (3e) or a 4-phenyl-1,2,3,6-tetrahydropyridine moiety (3i). The 4-phenyl-1,2,3,6-tetrahydropyridine compounds (3i-l) have a higher affinity for 5-HT1A receptors than do the corresponding unsubstituted phenylpiperazine analogues (3e-h). Compounds 3e and 3i appear to be selective for 5-HT1A receptors over other relevant receptors and still behave as neutral antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.119

文献信息

• Moderate chemical modifications of WAY-100635 improve the selectivity for 5-HT1A versus D4 receptors
  作者：Floriane Mangin、Sébastien Dilly、Benoît Joly、Jacqueline Scuvée-Moreau、Jon Evans、Vincent Setola、Bryan L. Roth、Jean-François Liégeois

  DOI：10.1016/j.bmcl.2012.05.119

  日期：2012.7

  The selectivity for 5-HT1A versus D-4 receptors is significantly increased when the basic side chain of WAY-100635 is replaced by a 4-phenylpiperazine (3e) or a 4-phenyl-1,2,3,6-tetrahydropyridine moiety (3i). The 4-phenyl-1,2,3,6-tetrahydropyridine compounds (3i-l) have a higher affinity for 5-HT1A receptors than do the corresponding unsubstituted phenylpiperazine analogues (3e-h). Compounds 3e and 3i appear to be selective for 5-HT1A receptors over other relevant receptors and still behave as neutral antagonists. (C) 2012 Elsevier Ltd. All rights reserved.