2-[(4-Prop-2-enoxyphenyl)methyl]propanedioic acid | 872209-97-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-[(4-Prop-2-enoxyphenyl)methyl]propanedioic acid
• CAS: 872209-97-7
• 化学式: C₁₃H₁₄O₅
• 分子量: 250.251
• InChiKey: MCWNDZBQUGYUDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(4-Prop-2-enoxyphenyl)methyl]propanedioic acid 在 CuO₂ 作用下， 以 乙腈 为溶剂， 以94%的产率得到4-(2-丙烯-1-基氧基)-苯丙酸
  参考文献：
  名称：

  Toll-like receptor 2 antagonists. Part 1: Preliminary SAR investigation of novel synthetic phospholipids

  摘要：

  Novel synthetic phospholipid compound I was discovered to be an antagonist of human toll-like receptor 2 (TLR2) signaling. In a preliminary SAR campaign we synthesized several analogues of 1 and found that considerable structural changes could be made without loss of TLR2 antagonistic activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.080
• 作为产物：
  描述：

  p-Allyloxybenzylmalonester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以90%的产率得到2-[(4-Prop-2-enoxyphenyl)methyl]propanedioic acid
  参考文献：
  名称：

  Toll-like receptor 2 antagonists. Part 1: Preliminary SAR investigation of novel synthetic phospholipids

  摘要：

  Novel synthetic phospholipid compound I was discovered to be an antagonist of human toll-like receptor 2 (TLR2) signaling. In a preliminary SAR campaign we synthesized several analogues of 1 and found that considerable structural changes could be made without loss of TLR2 antagonistic activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.080

文献信息

• Compounds and methods for treating Toll-like receptor 2-related diseases and conditions
  申请人：Chow Jesse

  公开号：US20050113345A1

  公开（公告）日：2005-05-26

  The present invention relates to compounds and methods useful in the prevention or treatment of diseases or conditions associated with Toll-like receptor 2 activation.

  本发明涉及用于预防或治疗与 Toll 样受体 2 激活有关的疾病或病症的化合物和方法。
• COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS
  申请人：Eisai Co., Ltd.

  公开号：EP1697389A2

  公开（公告）日：2006-09-06
• EP1697389A4
  申请人：——

  公开号：EP1697389A4

  公开（公告）日：2008-12-24
• Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions
  申请人：Chow Jesse

  公开号：US20070167409A1

  公开（公告）日：2007-07-19

  The present invention relates to compounds and methods useful in the prevention or treatment of diseases or conditions associated with Toll-like receptor 2 activation.
• US7202234B2
  申请人：——

  公开号：US7202234B2

  公开（公告）日：2007-04-10