| 1323444-49-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• CAS: 1323444-49-0
• 化学式: C₂₂H₁₄O₅S
• 分子量: 390.416
• InChiKey: IIRDMTBUQLLITD-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.73
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.58
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 丙二酸二乙酯 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以78%的产率得到(E)-methyl 7-methyl-3,9-dioxo-11-(3-oxo-3-(thiophen-2-yl)prop-1-enyl)-3,9-dihydrochromeno[8,7-h]chromene-2-carboxylate
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of novel biscoumarin–chalcone hybrids

  摘要：

  A series of synthesized novel biscoumarin-chalcone hybrids were evaluated for their anti-inflammatory and antioxidant activity. The tested compounds significantly inhibit the carrageenin induced paw oedema in albino rats and also exhibit important scavenging activities. These compounds thus constitute an interesting template for the design of new therapeutic tools against inflammation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.002
• 作为产物：
  描述：

  1,5-二羟基萘 在 盐酸 、 对甲苯磺酸 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of novel biscoumarin–chalcone hybrids

  摘要：

  A series of synthesized novel biscoumarin-chalcone hybrids were evaluated for their anti-inflammatory and antioxidant activity. The tested compounds significantly inhibit the carrageenin induced paw oedema in albino rats and also exhibit important scavenging activities. These compounds thus constitute an interesting template for the design of new therapeutic tools against inflammation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.002