(5-(4-fluorobenzyl)-2,4-dihydroxyphenyl)(4-phenoxyphenyl)methanone | 1395341-76-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: (5-(4-fluorobenzyl)-2,4-dihydroxyphenyl)(4-phenoxyphenyl)methanone
• 英文别名: [5-[(4-Fluorophenyl)methyl]-2,4-dihydroxyphenyl]-(4-phenoxyphenyl)methanone
• CAS: 1395341-76-0
• 化学式: C₂₆H₁₉FO₄
• 分子量: 414.433
• InChiKey: CKSYOBVTVZZWKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴联苯醚 在 palladium on activated charcoal 、 氢气 、 magnesium 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 3.0h， 生成 (5-(4-fluorobenzyl)-2,4-dihydroxyphenyl)(4-phenoxyphenyl)methanone
  参考文献：
  名称：

  Structure–activity relationship of selected polyphenol derivatives as inhibitors of Bax/Bcl-xL interaction

  摘要：

  This paper describes the synthesis of nine selected diaryl/heteroaryl-containing phenol and polyphenol derivatives which have been evaluated against Bax/Bcl-xL interaction in comparison with ABT-737. Using a BRET assay, six of these derivatives exhibit activity comparable to ABT-737 to disrupt Bax/Bcl-xL interaction. These preliminary results demonstrate that such polyphenol-derived molecules are attractive compounds regarding anticancer activity and that the phenol at position 3 is important regarding disruption of Bax/Bcl-xL interaction. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.036

文献信息

• Structure–activity relationship of selected polyphenol derivatives as inhibitors of Bax/Bcl-xL interaction
  作者：Duc Duy Vo、Fabien Gautier、Philippe Juin、René Grée

  DOI：10.1016/j.ejmech.2012.02.036

  日期：2012.5

  This paper describes the synthesis of nine selected diaryl/heteroaryl-containing phenol and polyphenol derivatives which have been evaluated against Bax/Bcl-xL interaction in comparison with ABT-737. Using a BRET assay, six of these derivatives exhibit activity comparable to ABT-737 to disrupt Bax/Bcl-xL interaction. These preliminary results demonstrate that such polyphenol-derived molecules are attractive compounds regarding anticancer activity and that the phenol at position 3 is important regarding disruption of Bax/Bcl-xL interaction. (C) 2012 Elsevier Masson SAS. All rights reserved.