3-phenyl-5-[1,2,4]triazol-1-ylmethyl-[1,2,4]oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-5-[1,2,4]triazol-1-ylmethyl-[1,2,4]oxadiazole
• 英文别名: 3-Phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
• 化学式: C₁₁H₉N₅O
• 分子量: 227.225
• InChiKey: YDBKUIUKEQDTPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰胺肟 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 3-phenyl-5-[1,2,4]triazol-1-ylmethyl-[1,2,4]oxadiazole
  参考文献：
  名称：

  New GABA-modulating 1,2,4-oxadiazole derivatives and their anticonvulsant activity

  摘要：

  A series of 3- and 5-aryl-1,2,4-oxadiazole derivatives were prepared and tested for anticonvulsant activity in a variety of models. These 1,2,4oxadiazoles exhibit considerable activity in both pentylenetetrazole (PTZ) and maximal electroshock seizure (MES) models. Compound 10 was protective in the PTZ model in rats with an oral ED50 of 25.5 mg/kg and in the MES model in rats with an oral ED50 Of 14.6 mg/kg. Neurotoxicity (rotarod) was observed with an ED50 Of 335 mg/kg. We found several oxadiazoles that acted as selective GABA potentiating compounds with no interaction to the benzodiazepine binding site. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.12.022

文献信息

• New GABA-modulating 1,2,4-oxadiazole derivatives and their anticonvulsant activity
  作者：Hans-Joachim Lankau、Klaus Unverferth、Christian Grunwald、Helge Hartenhauer、Kristina Heinecke、Katrin Bernöster、Rita Dost、Ute Egerland、Chris Rundfeldt

  DOI：10.1016/j.ejmech.2006.12.022

  日期：2007.6

  A series of 3- and 5-aryl-1,2,4-oxadiazole derivatives were prepared and tested for anticonvulsant activity in a variety of models. These 1,2,4oxadiazoles exhibit considerable activity in both pentylenetetrazole (PTZ) and maximal electroshock seizure (MES) models. Compound 10 was protective in the PTZ model in rats with an oral ED50 of 25.5 mg/kg and in the MES model in rats with an oral ED50 Of 14.6 mg/kg. Neurotoxicity (rotarod) was observed with an ED50 Of 335 mg/kg. We found several oxadiazoles that acted as selective GABA potentiating compounds with no interaction to the benzodiazepine binding site. (c) 2007 Elsevier Masson SAS. All rights reserved.