1-Ethoxycarbonyl 4-(3-nitrobenzyl)-piperazine | 314061-13-7

• 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-Ethoxycarbonyl 4-(3-nitrobenzyl)-piperazine
• 英文别名: ethyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate
• CAS: 314061-13-7
• 化学式: C₁₄H₁₉N₃O₄
• 分子量: 293.323
• InChiKey: OJKGMZJACAOMGH-UHFFFAOYSA-N

物化性质

• 沸点：
  422.5±40.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-哌嗪甲酸乙酯 、 碳酸氢钠 、 3-硝基溴苄 在 三乙胺 作用下， 以 乙醚 为溶剂， 以59%的产率得到1-(3-硝基苯基)哌嗪
  参考文献：
  名称：

  Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds

  摘要：

  本发明涉及新型苯并咪唑衍生物，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。本发明的化合物在治疗对GABA受体复合物调节敏感的中枢神经系统疾病和紊乱方面具有用途，特别是用于诱导和维持麻醉、镇静和肌肉松弛，以及用于对抗儿童的热性惊厥。本发明的化合物也可以被兽医使用。

  公开号：

  US20030055055A1

文献信息

• Benzimidazole derivatives and pharmaceutical compositions comprising these compounds
  申请人：Neurosearch A/S

  公开号：US06649609B2

  公开（公告）日：2003-11-18

  The present invention relates to novel 1-phenylbenzimidazole derivatives having particular alkoxycarbonyl substituents in the 5-position of the benz ring and having particular cyclic substituents in the meta-position of the phenyl ring, as well as to pharmaceutical compositions containing these compounds and to methods of treatment therewith. The compounds of the invention are useful in the treatment of central nervous system diseases and disorders, which are responsive to modulation of GABAA receptor complex, and in particular for inducing and maintaining anaesthesia, sedation, and muscle relaxation, as well as for combating febrile convulsions in children. The compounds of the invention may also be used by veterinarians.

  本发明涉及具有苯环5位特定烷氧羰基取代基和苯环间位特定环状取代基的新型1-苯基苯并咪唑衍生物，以及含有这些化合物的制药组合物和使用这些化合物治疗的方法。本发明的化合物可用于治疗对GABAA受体复合物调节敏感的中枢神经系统疾病和障碍，特别是用于诱导和维持麻醉、镇静和肌肉松弛，以及用于对抗儿童的热性惊厥。本发明的化合物也可由兽医使用。
• BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS
  申请人：NEUROSEARCH A/S

  公开号：EP1194410A1

  公开（公告）日：2002-04-10
• US6649609B2
  申请人：——

  公开号：US6649609B2

  公开（公告）日：2003-11-18
• US6936613B2
  申请人：——

  公开号：US6936613B2

  公开（公告）日：2005-08-30
• [EN] NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS<br/>[FR] NOUVEAUX DERIVES DE BENZIMIDAZOLE ET COMPOSITIONS PHARMACEUTIQUES COMPRENANT CES COMPOSES
  申请人：NEUROSEARCH AS

  公开号：WO2000078728A1

  公开（公告）日：2000-12-28

  The present invention relates to novel benzimidazole derivatives, pharmaceutical compositions containing these compounds, and methods of treatment therewith. The compounds of the invention are useful in the treatment of central nervous system diseases and disorders, which are responsive to modulation of the GABAA receptor complex, and in particular for inducing and maintaining anaesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children. The compounds of the invention may also be used by veterinarians.