N-<2-(dimethylamino)ethyl>-N-methyl-4-phenyl-1-piperazinecarboxamide | 127571-11-3

• 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-(dimethylamino)ethyl>-N-methyl-4-phenyl-1-piperazinecarboxamide
• 英文别名: N-[2-(dimethylamino)ethyl]-N-methyl-4-phenylpiperazine-1-carboxamide
• CAS: 127571-11-3
• 化学式: C₁₆H₂₆N₄O
• 分子量: 290.409
• InChiKey: MSPCEIHCQXTHCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  光气 、 N-苯基哌嗪 、 N,N,N'-三甲基乙二胺 在 三乙胺 作用下， 生成 N-<2-(dimethylamino)ethyl>-N-methyl-4-phenyl-1-piperazinecarboxamide
  参考文献：
  名称：

  Synthesis and antiallergy activity of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamide derivatives

  摘要：

  A series of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamides was synthesized and evaluated for antiallergy activity. Several derivatives had activity in the passive foot anaphylaxis (PFA) assay, an IgE-mediated model useful in the detection of compounds possessing antiallergic activity, but no derivative tested had activity at 10 mg/kg in the guinea pig anaphylaxis (GPA) assay. One analogue, N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide , had an IC50 = 310 nM for inhibition of tritiated mepyramine binding to H1 histaminic receptors isolated from guinea pig cerebral cortex.

  DOI：

  10.1021/jm00169a037

文献信息

• Synthesis and antiallergy activity of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamide derivatives
  作者：David A. Walsh、Jerry B. Green、Stephen K. Franzyshen、Joseph C. Nolan、John M. Yanni

  DOI：10.1021/jm00169a037

  日期：1990.7

  A series of N-[2-(dimethylamino)ethyl]-4-aryl-1-piperazinecarboxamides was synthesized and evaluated for antiallergy activity. Several derivatives had activity in the passive foot anaphylaxis (PFA) assay, an IgE-mediated model useful in the detection of compounds possessing antiallergic activity, but no derivative tested had activity at 10 mg/kg in the guinea pig anaphylaxis (GPA) assay. One analogue, N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1-piperazinecarboxamide , had an IC50 = 310 nM for inhibition of tritiated mepyramine binding to H1 histaminic receptors isolated from guinea pig cerebral cortex.