(E)-1-{3-[(E)-(2-bromo-5-methoxybenzylidene)amino]-4-methoxyphenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-1-{3-[(E)-(2-bromo-5-methoxybenzylidene)amino]-4-methoxyphenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• 化学式: C₂₇H₂₆BrNO₆
• 分子量: 540.411
• InChiKey: DKNBTSCINKUBML-JFFKFGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  75.58
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-甲氧基-5-乙酰基苯胺 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 (E)-1-{3-[(E)-(2-bromo-5-methoxybenzylidene)amino]-4-methoxyphenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of paralleled Aza resveratrol–chalcone compounds as potential anti-inflammatory agents for the treatment of acute lung injury

  摘要：

  Acute lung injury (ALI) is a major cause of acute respiratory failure in critically-ill patients. It has been reported that both resveratrol and chalcone derivatives could ameliorate lung injury induced by inflammation. A series of paralleled Aza resveratrol-chalcone compounds (5a-5m, 6a-6i) were designed, synthesized and screened for anti-inflammatory activity. A majority showed potent inhibition on the IL-6 and TNF-alpha expression-stimulated by LPS in macrophages, of which compound 6b is the most potent analog by inhibition of LPS-induced IL-6 release in a dose-dependent manner. Moreover, 6b exhibited protection against LPS-induced acute lung injury in vivo. These results offer further insight into the use of Aza resveratrol-chalcone compounds for the treatment of inflammatory diseases, and the use of compound 6b as a lead compound for the development of anti-ALI agents. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.030