4-[(3,4-Dimethylphenoxy)methyl]-7,8-dimethylchromen-2-one | 126527-48-8

• 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
• 英文名称: 4-[(3,4-Dimethylphenoxy)methyl]-7,8-dimethylchromen-2-one
• CAS: 126527-48-8
• 化学式: C₂₀H₂₀O₃
• 分子量: 308.377
• InChiKey: SRSXBBNGCGKXPT-UHFFFAOYSA-N

物化性质

• 沸点：
  498.6±45.0 °C(predicted)
• 密度：
  1.143±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二甲酚 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 生成 4-[(3,4-Dimethylphenoxy)methyl]-7,8-dimethylchromen-2-one
  参考文献：
  名称：

  Ringh; Singh; Parkash Malik, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 11, p. 996 - 998

  摘要：

  DOI：

文献信息

• SINGH, RAJVIR;SINGH, RAJ PAL;MALIK, OM PARKASH;MAKARANDI, JAGDISH KUMAR, INDIAN J. CHEM. B, 28,(1989) N1, C. 996-998
  作者：SINGH, RAJVIR、SINGH, RAJ PAL、MALIK, OM PARKASH、MAKARANDI, JAGDISH KUMAR

  DOI：——

  日期：——
• HNF4-alpha ANTAGONIST AND USE THEREOF
  申请人：NATIONAL CANCER CENTER

  公开号：US20170189371A1

  公开（公告）日：2017-07-06

  Provided is a hepatocyte nuclear factor 4 alpha (HNF4-α) antagonist and a use thereof. The HNF4-α antagonist selected in the present invention was confirmed to specifically bind to the ligand binding domain of HNF4-α, thereby inhibiting the activity of HNF4-α. The HNF4-α antagonist of the present invention can significantly reduce the expression of Wnt5a in a specific manner compared to that of the conventional known HNF4-α antagonists, and can also inhibit the growth of gastric cancer cells. Therefore, the HNF4-α antagonist of the present invention can not only be used as a pharmaceutical composition or a health functional food for preventing and treating cancer but can also be applied to a composition for treating or preventing diseases occurring due to the overexpression of HNF4-α.