ethyl 2-(decyloxy)benzeneacetate | 117424-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 2-(decyloxy)benzeneacetate
• 英文别名: Ethyl 2-decyloxybenzene acetate；ethyl 2-(2-decoxyphenyl)acetate
• CAS: 117424-07-4
• 化学式: C₂₀H₃₂O₃
• 分子量: 320.472
• InChiKey: NKJOEPOVNHNIAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯酐 、 ethyl 2-(decyloxy)benzeneacetate 以to provide the title product in 8% yield的产率得到ethyl 5-<2-carboxybenzoyl>-2-(decyloxy)benzeneacetate
  参考文献：
  名称：

  Leukotriene antagonists

  摘要：

  本发明提供了苯并衍生物，这些衍生物是白三烯拮抗剂，还提供了这些衍生物的制剂、制备这些衍生物的中间体，以及使用这些衍生物治疗白三烯过度释放所导致的疾病的方法。

  公开号：

  US05235064A1

文献信息

• Leukotriene antagonists
  申请人：Eli Lilly and Company

  公开号：US05171882A1

  公开（公告）日：1992-12-15

  This invention provides benzene derivatives which are leukotriene antagonists, formulations of those derivatives, intermediates for preparing the derivatives, and a method of using those derivatives for the treatment of conditions characterized by an excessive release of leukotrienes.

  该发明提供了苯衍生物，它们是白三烯拮抗剂，这些衍生物的配方，用于制备这些衍生物的中间体，以及使用这些衍生物治疗白三烯过度释放引起的疾病的方法。
• Intermediates for leukotriene antagonists
  申请人：Eli Lilly and Company

  公开号：US04992576A1

  公开（公告）日：1991-02-12

  This invention provides benzene derivatives which are leukotriene antagonists, formulations of those derivatives, intermediates for preparing the derivatives, and a method of using those derivatives for the treatment of conditions characterized by an excessive release of leukotrienes.

  本发明提供了苯基衍生物，其为白三烯拮抗剂，这些衍生物的配方，用于制备这些衍生物的中间体，以及使用这些衍生物治疗白三烯过度释放所引起的疾病的方法。
• 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：——
• 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.