3-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-1-(2,4-dimethoxyphenyl)-3-oxopropene | 6559-72-4

• 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: 3-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-1-(2,4-dimethoxyphenyl)-3-oxopropene
• 英文别名: 6-Hydroxy-4.7-dimethoxy-5-β-(2.4-dimethoxy-phenyl)-acryloyl-cumaron；3-(2,4-dimethoxy-phenyl)-1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)-propenone；3-(2,4-Dimethoxyphenyl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
• CAS: 6559-72-4
• 化学式: C₂₁H₂₀O₇
• 分子量: 384.386
• InChiKey: VTYYBGLLGJKRLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  87.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-1-(2,4-dimethoxyphenyl)-3-oxopropene 在 双氧水 作用下， 生成
  参考文献：
  名称：

  Thionation of Chalcone and Aurone Derivatives by Lawesson's Reagent

  摘要：

  The reaction of Lawesson's reagent (LR 5) with chalcones (4a-h) and aurones (12a-h) proceeds in refluxing toluene to give the respective benzofuranylprop-2-en-1-thiones (8a-h) and benzodifuran-3-thiones (13a-h). Correct elemental analyses and spectroscopic data were obtained for the new compounds.

  DOI：

  10.1080/10426507.2012.704457

文献信息

• Mustafa,A. et al., Justus Liebigs Annalen der Chemie, 1966, vol. 692, p. 166 - 173
  作者：Mustafa,A. et al.

  DOI：——

  日期：——
• FURANOCHALCONES AS INHIBITORS OF CYP1A1, CYP1A2 AND CYP1B1 FOR CANCER CHEMOPREVENTION
  申请人：Council Of Scientific & Industrial Research

  公开号：EP3497097A1

  公开（公告）日：2019-06-19
• [EN] FURANOCHALCONES AS INHIBITORS OF CYP1A1, CYP1A2 AND CYP1B1 FOR CANCER CHEMOPREVENTION<br/>[FR] FURANOCHALCONES EN TANT QU'INHIBITEURS DE CYP1A1, CYP1A2 ET CYP1B1 POUR LA CHIMIOPRÉVENTION DU CANCER
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2018029710A1

  公开（公告）日：2018-02-15

  The present invention relates to the furanochalcone class of compounds of general formula A. The present invention particularly relates to the synthesis of furanochalcones and their CYP1A1, CYP1A2 and CYP1B1 inhibitory activity. In addition, the invention relates to the prevention or treatment of cancer caused by polyaromatic hydrocarbons (PAHs), 4-nitroquinoline-1-oxide, and N-nitroso-N- methylurea, heterocyclic amines, estrogen and 17β-estradiol, resulting from the inhibition of CYP1A1, CYP1A2 and CYP1B1 enzymes.