1H-四唑,5-[4-[5-(4-丙氧基苯基)-2H-四唑-2-基]丁基]- | 138631-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1H-四唑,5-[4-[5-(4-丙氧基苯基)-2H-四唑-2-基]丁基]-
• 中文别名: 1H-四唑,5-[4-[5-(4-丙氧基苯基)-2H-四唑-2-基]丁基]-
• 英文名称: 5-(4-propoxyphenyl)-2-<4-(1H-tetrazol-5-yl)butyl>-2H-tetrazole
• 英文别名: 5-(4-propoxyphenyl)-2-[4-(2H-tetrazol-5-yl)butyl]tetrazole
• CAS: 138631-04-6
• 化学式: C₁₅H₂₀N₈O
• 分子量: 328.377
• InChiKey: ACWUIUMJGZPODH-UHFFFAOYSA-N

物化性质

• 沸点：
  576.4±60.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-丙氧基苯甲腈 在 三正丁基叠氮化锡 、 potassium carbonate 、 potassium iodide 作用下， 以 乙二醇二乙醚 为溶剂， 反应 77.0h， 生成 1H-四唑,5-[4-[5-(4-丙氧基苯基)-2H-四唑-2-基]丁基]-
  参考文献：
  名称：

  Development of a series of phenyltetrazole leukotriene D4(LTD4) receptor antagonists

  摘要：

  A hypothetical model for receptor binding of leukotriene D4 (LTD4) was deduced from conformational analysis of LTD4 and from the structure-activity relationships (SAR) of known LTD4 receptor antagonists. A new structural series of LTD4 receptor antagonists exemplified by 5-[4-(4-phenylbutoxy)phenyl]-2-[4-(tetrazol-5-yl)butyl]-2H-tetrazole was designed in which a phenyltetrazole moiety was incorporated as a receptor binding equivalent of the triene unit of LTD4. A number of these phenyltetrazoles were prepared and found to possess LTD4 receptor antagonist activity. The structure-activity relationship (SAR) of this series is described.

  DOI：

  10.1021/jm00085a004