5-<1-(3-carboxyphenyl)ethenyl>-2-(decyloxy)benzenepropanoic acid | 117424-71-2

• 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: 5-<1-(3-carboxyphenyl)ethenyl>-2-(decyloxy)benzenepropanoic acid
• 英文别名: 5-[1-(3-Carboxyphenyl)ethenyl]-2-(decyloxy)benzenepropanoic acid；3-[1-[3-(2-Carboxyethyl)-4-decoxyphenyl]ethenyl]benzoic acid
• CAS: 117424-71-2
• 化学式: C₂₈H₃₆O₅
• 分子量: 452.591
• InChiKey: JYKLUSCMCCUVDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  33
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 5-(3-carbethoxybenzoyl)-2-(decyloxy)benzenepropanoate 在 lithium hydroxide 、 正丁基锂 作用下， 以 水 、 丙酮 为溶剂， 反应 27.0h， 生成 5-<1-(3-carboxyphenyl)ethenyl>-2-(decyloxy)benzenepropanoic acid
  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

• GAPINSKI, D. MARK;MALLETT, BARBARA E.;FROELICH, LARRY L.;JACKSON, WILLIAM+, J. MED. CHEM., 33,(1990) N0, C. 2798-2807
  作者：GAPINSKI, D. MARK、MALLETT, BARBARA E.、FROELICH, LARRY L.、JACKSON, WILLIAM+

  DOI：——

  日期：——
• 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