3,3',4-Trimethoxy-stilben | 96853-56-4

• 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: 3,3',4-Trimethoxy-stilben
• 英文别名: 1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethenyl]benzene
• CAS: 96853-56-4
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: XBKHGLHQLPMZFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯甲醛 、 在 sodium hydride 、 甲醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以21%的产率得到3,3',4-Trimethoxy-stilben
  参考文献：
  名称：

  Synthesis and biological evaluation of a library of resveratrol analogues as inhibitors of COX-1, COX-2 and NF-κB

  摘要：

  Resveratrol (4,30,50- trihydroxystilbene) is a naturally occurring antioxidant that inhibits cyclooxygenase-1 (COX-1), cyclooxygenase-2 (COX-2) and the transcription factor NF-kappa B. A 78-membered library of resveratrol analogues in which the substituents on the two aryl rings and alkene were varied was synthesized using a solid-phase Wittig olefination reaction. The library contains inhibitors against all three proteins that were more potent than resveratrol itself. Preliminary structure-activity relationships were also obtained from these data that permitted the derivation of pharmacophore models for each of the three targets. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.031

文献信息

• Compositions for prevention and treatment of inflammatory disease, autoimmune disease, and transplant rejection
  申请人：The Regents of the University of California

  公开号：EP2060255B1

  公开（公告）日：2013-06-05