di(hex-2-en-1-yl) (1R,2R,3S,4S)-2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate | 1428579-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: di(hex-2-en-1-yl) (1R,2R,3S,4S)-2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
• CAS: 1428579-80-9
• 化学式: C₃₀H₃₆O₆
• 分子量: 492.612
• InChiKey: XEPBKRPDGRGZDH-PCYFZWJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  36.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-香豆酸 在 4-二甲氨基吡啶 、 四丁基氟化铵 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 121.0h， 生成 di(hex-2-en-1-yl) (1R,2R,3S,4S)-2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
  参考文献：
  名称：

  Inhibitory effect of 4,4′-dihydroxy-α-truxillic acid derivatives on NO production in lipopolysaccharide-induced RAW 264.7 macrophages and exploration of structure–activity relationships

  摘要：

  The inhibitory activity of 4,4'-dihydroxy-alpha-truxillic acid and its derivatives (5-1a-5-35a) on nitric oxide (NO) release was evaluated in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages. Compounds 5-3a, 5-4a, 5-5a, 5-10a, 5-24a, 5-26a and 5-30a exhibited significant inhibitory effects on NO production, with IC50 values of 19.8, 21.1, 16.4, 17.5, 20.8, 22.6 and 17.6 mu M, respectively. Their cytotoxicities were also estimated using a CCK-8 assay. Among them, compound 5-10a showed no cytotoxic effect on cells up to a concentration of 50 mu M. The structure-activity relationships of the compounds are also discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.091