5-<4-(4-phenylbutoxy)phenyl>-2H-tetrazole-2-pentanamide | 138631-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-<4-(4-phenylbutoxy)phenyl>-2H-tetrazole-2-pentanamide
• 英文别名: 5-[5-[4-(4-Phenylbutoxy)phenyl]tetrazol-2-yl]pentanamide
• CAS: 138631-16-0
• 化学式: C₂₂H₂₇N₅O₂
• 分子量: 393.489
• InChiKey: MPAKWRCWHCUNAM-UHFFFAOYSA-N

物化性质

• 沸点：
  667.3±65.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  95.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  邻甲苯磺酰异氰酸酯 、 5-<4-(4-phenylbutoxy)phenyl>-2H-tetrazole-2-pentanamide 以 甲苯 为溶剂， 以79%的产率得到N-<<<(2-methylphenyl)sulfonyl>amino>carbonyl>-5-<4-(4-phenylbutoxy)phenyl>-2H-tetrazole-2-pentanamide
  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
• 作为产物：
  描述：

  5-溴戊酸甲酯 在 盐酸 、 ammonium hydroxide 、 sodium hydroxide 、 氯化亚砜 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 水 、 丁酮 为溶剂， 反应 23.0h， 生成 5-<4-(4-phenylbutoxy)phenyl>-2H-tetrazole-2-pentanamide
  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

文献信息

• Development of a series of phenyltetrazole leukotriene D4(LTD4) receptor antagonists
  作者：Richard W. Harper、David K. Herron、Nancy G. Bollinger、J. Scott Sawyer、Ronald F. Baldwin、Carlos R. Roman、Lynn E. Rinkema、Jerome H. Fleisch

  DOI：10.1021/jm00085a004

  日期：1992.4

  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.