1,4-bis(2,4,6-trihydroxyphenyl)but-2-ene-1,4-dione | 1103524-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,4-bis(2,4,6-trihydroxyphenyl)but-2-ene-1,4-dione
• CAS: 1103524-23-7
• 化学式: C₁₆H₁₂O₈
• 分子量: 332.266
• InChiKey: ATHSSNROUSMSLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  155.52
• 氢给体数：
  6.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  丁二酸酐 、 间苯三酚 在 三氟化硼乙醚 作用下， 反应 2.0h， 以60%的产率得到1,4-bis(2,4,6-trihydroxyphenyl)but-2-ene-1,4-dione
  参考文献：
  名称：

  Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists

  摘要：

  In this letter, we report discovery of diacylphloroglucinol compounds as a new class of GPR40 (FFAR1) agonists. Several diacylphloroglucinols with varying length of acyl functionality and substitution on aromatic hydroxyls were synthesized and evaluated for GPR40 agonism using functional calcium-flux assay. Out of 17 compounds evaluated, 14, 17, 19 and 25 exhibited good GPR40 agonistic activity with EC(50) values ranging from 0.07 to 8 mu M (pEC(50) 7.12-5.09), respectively, with maximal agonistic response of 84-102%. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.085