methyl 4-(3,5-dimethoxystyryl)benzoate | 1028097-97-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: methyl 4-(3,5-dimethoxystyryl)benzoate
• 英文别名: (Z)-methyl 4-(3,5-dimethoxystyryl)benzoate；methyl 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]benzoate
• CAS: 1028097-97-3
• 化学式: C₁₈H₁₈O₄
• 分子量: 298.339
• InChiKey: HEWISZBNOBHVPU-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(3,5-dimethoxystyryl)benzoate 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以24%的产率得到(Z)-4-(3,5-dimethoxystyryl)benzoic acid
  参考文献：
  名称：

  Design, synthesis, biological evaluation and docking studies of pterostilbene analogs inside PPARα

  摘要：

  Pterostilbene, a naturally occurring analog of resveratrol, has previously shown PPAR alpha activation in H4IIEC3 cells and was found to decrease cholesterol levels in animals. In this study, analogs of pterostilbene were synthesized and their ability to activate PPARa was investigated. Among analogs that was synthesized (E)-4-(3,5-dimethoxystyryl) phenyl dihydrogen phosphate showed activity higher than pterostilbene and control drug ciprofibrate. Docking of the stilbenes inside PPARa showed the presence of important hydrogen bond interactions for PPAR alpha activation. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.01.051
• 作为产物：
  描述：

  (3,5-dimethoxybenzyl)triphenylphosphonium bromide 、 对甲酰基苯甲酸甲酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 14.0h， 以52%的产率得到methyl 4-(3,5-dimethoxystyryl)benzoate
  参考文献：
  名称：

  Design, synthesis, biological evaluation and docking studies of pterostilbene analogs inside PPARα

  摘要：

  Pterostilbene, a naturally occurring analog of resveratrol, has previously shown PPAR alpha activation in H4IIEC3 cells and was found to decrease cholesterol levels in animals. In this study, analogs of pterostilbene were synthesized and their ability to activate PPARa was investigated. Among analogs that was synthesized (E)-4-(3,5-dimethoxystyryl) phenyl dihydrogen phosphate showed activity higher than pterostilbene and control drug ciprofibrate. Docking of the stilbenes inside PPARa showed the presence of important hydrogen bond interactions for PPAR alpha activation. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.01.051

文献信息

• PREVENTION AND TREATMENT OF COLON CANCER
  申请人：Rimando Agnes M.

  公开号：US20120178704A1

  公开（公告）日：2012-07-12

  Stilbene compounds for the prevention and treatment of colon cancer or colon inflammation and methods of using same are provided.

  提供了用于预防和治疗结肠癌或结肠炎的双苯乙烯化合物及其使用方法。
• US8426369B2
  申请人：——

  公开号：US8426369B2

  公开（公告）日：2013-04-23
• [EN] PREVENTION AND TREATMENT OF COLON CANCER<br/>[FR] PRÉVENTION ET TRAITEMENT DU CANCER DU CÔLON
  申请人：UNIV RUTGERS

  公开号：WO2008070872A1

  公开（公告）日：2008-06-12

  [EN] Stilbene compounds for the prevention and treatment of colon cancer or colon inflammation and methods of using same are provided.
  [FR] L'invention concerne des composés de stilbène destinés à la prévention et au traitement du cancer du côlon ou de l'inflammation du côlon, ainsi que leurs procédés d'utilisation.