[4-(Decyloxy)-3-(1H-tetrazol-5-ylmethyl)phenyl][3-(1H-tetrazol-5-yl)phenyl]methanone | 117423-70-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-(Decyloxy)-3-(1H-tetrazol-5-ylmethyl)phenyl][3-(1H-tetrazol-5-yl)phenyl]methanone
• 英文别名: [4-decoxy-3-(2H-tetrazol-5-ylmethyl)phenyl]-[3-(2H-tetrazol-5-yl)phenyl]methanone
• CAS: 117423-70-8
• 化学式: C₂₆H₃₂N₈O₂
• 分子量: 488.592
• InChiKey: ULAUZSVELJRWCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氰基苯甲酰氯 在 三氯化铝 、 tri-n-butyltin azide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 241.0h， 生成 [4-(Decyloxy)-3-(1H-tetrazol-5-ylmethyl)phenyl][3-(1H-tetrazol-5-yl)phenyl]methanone
  参考文献：
  名称：

  Benzophenone dicarboxylic acid antagonists of leukotriene B4. 1. Structure-activity relationships of the benzophenone nucleus

  摘要：

  A series of lipophilic benzophenone dicarboxylic acid derivatives was prepared which inhibited the binding of the potent chemotaxin leukotriene B4 to its receptor(s) on intact human neutrophils. With a radioligand-binding assay as a measure of receptor affinity, a structure-activity relationship for this series was investigated. Both acidic residues were required for receptor-binding activity. The relative orientation of the two acidic groups was important for optimal binding. Replacement of the carbonyl group of the benzophenone with a variety of polar and nonpolar linking groups led to only small changes in binding affinity, indicating the linking group may not be involved in receptor recognition. Further structure-activity relationships within this series are reported in an accompanying paper.

  DOI：

  10.1021/jm00172a019

文献信息

• Anti-inflammatory agents
  申请人：ELI LILLY AND COMPANY

  公开号：EP0276064B1

  公开（公告）日：1990-10-31
• US4992576A
  申请人：——

  公开号：US4992576A

  公开（公告）日：1991-02-12
• US5171882A
  申请人：——

  公开号：US5171882A

  公开（公告）日：1992-12-15
• US5235064A
  申请人：——

  公开号：US5235064A

  公开（公告）日：1993-08-10
• Benzophenone dicarboxylic acid antagonists of leukotriene B4. 1. Structure-activity relationships of the benzophenone nucleus
  作者：D. Mark Gapinski、Barbara E. Mallett、Larry L. Froelich、William T. Jackson

  DOI：10.1021/jm00172a019

  日期：1990.10

  A series of lipophilic benzophenone dicarboxylic acid derivatives was prepared which inhibited the binding of the potent chemotaxin leukotriene B4 to its receptor(s) on intact human neutrophils. With a radioligand-binding assay as a measure of receptor affinity, a structure-activity relationship for this series was investigated. Both acidic residues were required for receptor-binding activity. The relative orientation of the two acidic groups was important for optimal binding. Replacement of the carbonyl group of the benzophenone with a variety of polar and nonpolar linking groups led to only small changes in binding affinity, indicating the linking group may not be involved in receptor recognition. Further structure-activity relationships within this series are reported in an accompanying paper.