1-(3,4,5-trimethoxyphenoxy)-3-<4-(2-nitrophenyl)piperazinyl>propan-2-ol monohydrochloride | 68577-10-6

• 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: 1-(3,4,5-trimethoxyphenoxy)-3-<4-(2-nitrophenyl)piperazinyl>propan-2-ol monohydrochloride
• 英文别名: 1-[4-(2-Nitrophenyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;chloride；1-[4-(2-nitrophenyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;chloride
• CAS: 68577-10-6
• 化学式: C₂₂H₂₉N₃O₇*ClH
• 分子量: 483.949
• InChiKey: OYQAZWDTUXYZNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(3,4,5-trimethoxyphenoxy)-3-<4-(2-nitrophenyl)piperazinyl>propan-2-ol monohydrochloride 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 1-(3,4,5-trimethoxyphenoxy)-3-<4-(2-aminophenyl)piperazinyl>propan-2-ol
  参考文献：
  名称：

  Chemistry and pharmacology of the non-benzodiazepine anxiolytic enciprazine and related compounds

  摘要：

  In the course of studies on tranquilizers, new non-benzodiazepine-like compounds were synthesized. These are 1-(3,4,5-trimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazinyl]prop an-2-ol (INN: enciprazine) and derivatives thereof which were screened pharmacologically in order to evaluate their central nervous system activity. Compounds with marked antiaggressive and anxiolytic properties but without dependence potential could be detected. Enciprazine was selected for clinical investigations.

  DOI：

  10.1021/jm00173a012

文献信息

• Chemistry and pharmacology of the non-benzodiazepine anxiolytic enciprazine and related compounds
  作者：Juergen Engel、Ilona Fleischhauer、Vladimir Jakovlev、Axel Kleemann、Bernhard Kutscher、Bernd Nickel、Horst Rauer、Ulrich Werner、Istvan Szelenyi

  DOI：10.1021/jm00173a012

  日期：1990.11

  In the course of studies on tranquilizers, new non-benzodiazepine-like compounds were synthesized. These are 1-(3,4,5-trimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazinyl]prop an-2-ol (INN: enciprazine) and derivatives thereof which were screened pharmacologically in order to evaluate their central nervous system activity. Compounds with marked antiaggressive and anxiolytic properties but without dependence potential could be detected. Enciprazine was selected for clinical investigations.