Bis-(m-chlormethylphenyl-4-piperazinyl)-1,2-ethan | 51299-22-0

• 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: Bis-(m-chlormethylphenyl-4-piperazinyl)-1,2-ethan
• 英文别名: 4,4'-bis-(3-chloro-phenyl)-1,1'-ethane-1,2-diyl-bis-piperazine；1-(3-Chlorophenyl)-4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]piperazine
• CAS: 51299-22-0
• 化学式: C₂₂H₂₈Cl₂N₄
• 分子量: 419.397
• InChiKey: QOWAGFSLTNRNJY-UHFFFAOYSA-N

物化性质

• 沸点：
  557.0±50.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-溴-2-氯乙烷 、 1-(3-氯苯基)哌嗪 以 甲苯 为溶剂， 生成 1-(2-氯乙基)-4-(3-氯苯基)哌嗪 、 Bis-(m-chlormethylphenyl-4-piperazinyl)-1,2-ethan
  参考文献：
  名称：

  Synthesis and biological activity of benzotriazole derivatives structurally related to trazodone

  摘要：

  This paper outlines the synthesis and the pharmacological screening of a series of novel 1- and 2-[2-[4-(X)-1-piperazinyl]ethyl]benzotriazoles and 1-[3-[4-(X)-1-piperazinyl]propoxy]benzotriazoles, which are structurally related to trazodone. Anti serotonergic, antiadrenergic and antihistaminic in vitro activity and in vivo analgesic action are described. Some of the investigated compounds show overall pharmacological profiles similar to that of the antidepressant trazodone.

  DOI：

  10.1016/0223-5234(96)88212-2

文献信息

• Synthesis of new 1,2,3-benzotriazin-4-one-arylpiperazine derivatives as 5-HT 1A serotonin receptor ligands
  作者：Giuseppe Caliendo、Ferdinando Fiorino、Paolo Grieco、Elisa Perissutti、Vincenzo Santagada、Beatrice Severino、Giancarlo Bruni、Maria Rosaria Romeo

  DOI：10.1016/s0968-0896(00)00004-3

  日期：2000.3

  A series of novel 1,2,3-benzotriazin-4-one derivatives was prepared and evaluated as ligands for 5-HT receptors. Radioligand binding assays proved that the majority of the novel compounds behaved as good to excellent ligands at the 5-HT1A receptor, some of which were selective with respect 5-HT2A and 5-HT2C receptors. Six analogues (1a, 2a, 2b, 2c, 2e and 2i) were selected and further evaluated for their binding affinities on D-1, D-2 dopaminergic and alpha(1)-, alpha(2)-adrenergic receptors. A o-OCH3 derivative (2e) bound at 5-HT1A sites with subnanomolar affinity (IC50 = 0.059 nM) and shows high selectivity over all considered receptors and may offer a new lead for the development of therapeutically efficacious agents. (C) 2000 Elsevier Science Ltd. All rights reserved.