2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy}benzamide | 1310877-88-3

• 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: 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy}benzamide
• 英文别名: 2-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]ethoxy]benzamide；2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]benzamide
• CAS: 1310877-88-3
• 化学式: C₂₀H₂₅N₃O₃
• 分子量: 355.437
• InChiKey: MYSZRHPWEGFDML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  水杨酰胺 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 44.0h， 生成 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy}benzamide
  参考文献：
  名称：

  Synthesis, computational studies, and preliminary pharmacological evaluation of new arylpiperazines as potential antipsychotics

  摘要：

  A series of long-chain arylpiperazines bearing a salicylamide fragment were synthesized, and the target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced climbing behavior (D-2 antagonism) and 5-HTP-induced head twitches (5-HT2A antagonism) along with catalepsy studies in mice. The physicochemical similarity values of the target compounds with respect to standard drugs, clozapine, ketanserin, and risperidone, were determined using software programs. The test compounds demonstrated good similarity values with respect to the standard drugs. The compounds 3a (4) showed maximum atypical antipsychotic like profile.

  DOI：

  10.1007/s00044-011-9630-4

文献信息

• Synthesis, computational studies, and preliminary pharmacological evaluation of new arylpiperazines as potential antipsychotics
  作者：Sushil Kumar、A. K. Wahi、Ranjit Singh

  DOI：10.1007/s00044-011-9630-4

  日期：2012.7

  A series of long-chain arylpiperazines bearing a salicylamide fragment were synthesized, and the target compounds were evaluated for atypical antipsychotic activity in apomorphine-induced climbing behavior (D-2 antagonism) and 5-HTP-induced head twitches (5-HT2A antagonism) along with catalepsy studies in mice. The physicochemical similarity values of the target compounds with respect to standard drugs, clozapine, ketanserin, and risperidone, were determined using software programs. The test compounds demonstrated good similarity values with respect to the standard drugs. The compounds 3a (4) showed maximum atypical antipsychotic like profile.