1-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]-4H-1,2,4-triazol-5-yl]thioacetyl]-3-(2-thienyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline | 1246567-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]-4H-1,2,4-triazol-5-yl]thioacetyl]-3-(2-thienyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline
• 英文别名: 2-[[4-Amino-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1246567-71-4
• 化学式: C₂₆H₂₄N₆O₄S₂
• 分子量: 548.646
• InChiKey: UDBHZLZVKCUBEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  182
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-amino-5-[2-(4-hydroxyphenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione 、 1-(chloroacetyl)-3-(2-thienyl)-5-(1,3-benzodioxol-5-yl)-2-pyrazoline 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以73%的产率得到1-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]-4H-1,2,4-triazol-5-yl]thioacetyl]-3-(2-thienyl)-5-(3,4-methylenedioxyphenyl)-2-pyrazoline
  参考文献：
  名称：

  New pyrazoline derivatives and their antidepressant activity

  摘要：

  Some triazolo-pyrazoline derivatives were synthesized to investigate their potential antidepressant activities. The chemical structures of the compounds were elucidated by IR, NMR and FAB(+)-MS spectral data and elemental analyses. Antidepressant-like activities of the test compounds (100 mg/kg) were screened using both modified forced swimming and tail suspension tests. Rota-Rod test was performed for the examination of probable neurological deficits due to the test compounds, which may interfere with the test results. The test compounds in the series exhibited different levels of antidepressant activities when compared to reference drug fluoxetine. None of the test compounds changed motor coordination of animals when assessed in the Rota-Rod test. Therefore, experimental results in this study were not interfered with motor abnormalities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.011