2-(4-allyloxybenzyl)malonic acid mono allyl ester | 851304-18-2

• 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-allyloxybenzyl)malonic acid mono allyl ester
• 英文别名: 3-Oxo-3-prop-2-enoxy-2-[(4-prop-2-enoxyphenyl)methyl]propanoic acid
• CAS: 851304-18-2
• 化学式: C₁₆H₁₈O₅
• 分子量: 290.316
• InChiKey: JOEJMOLCZUSXER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(3R)-1-[(2S)-3-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl] dodecanoate 、 2-(4-allyloxybenzyl)malonic acid mono allyl ester 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3R)-1-((2S)-3-(((allyloxy)(2-(3-(allyloxy)-2-(4-(allyloxy)benzyl)-3-oxopropanamido)ethoxy)phosphoryl)oxy)-2-tetradecanamidopropoxy)decan-3-yl dodecanoate
  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：

  在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以96%的产率得到2-(4-allyloxybenzyl)malonic acid mono allyl ester
  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

• [EN] COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS<br/>[FR] COMPOSES ET METHODES PERMETTANT DE TRAITER LES MALADIES ET ETATS PATHOLOGIQUES LIES AU RECEPTEUR 2 DE TYPE TOLL
  申请人：EISAI CO LTD

  公开号：WO2005039504A3

  公开（公告）日：2005-08-11
• 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.
• COMPOUNDS AND METHODS FOR TREATING TOLL-LIKE RECEPTOR 2-RELATED DISEASES AND CONDITIONS
  申请人：Chow Jesse

  公开号：US20090186855A1

  公开（公告）日：2009-07-23

  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
• US7550501B2
  申请人：——

  公开号：US7550501B2

  公开（公告）日：2009-06-23