ethyl 2-(4-bromo-2-heptylphenoxy) acetate | 1542755-63-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(4-bromo-2-heptylphenoxy) acetate
• CAS: 1542755-63-4
• 化学式: C₁₇H₂₅BrO₃
• 分子量: 357.288
• InChiKey: VOKVUJJJDZHGDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-bromo-2-heptylphenoxy) acetate 、 4-羟基苯硼酸频哪醇酯 在 二氯双(三邻甲苯膦)合钯(II) 、 sodium carbonate 、 三(邻甲基苯基)磷 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 以95%的产率得到ethyl 2-(1,1'-biphenyl-3-n-heptyl-4'-ol-4-oxy)acetate
  参考文献：
  名称：

  4,4′-Unsymmetrically substituted 3,3′-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors

  摘要：

  A series of unsymmetrically substituted biphenyl compounds was designed as alpha helical proteomimetics with the aim of inhibiting the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were synthesized in good overall yields in seven steps starting from 2-bromoanisole. The final products were evaluated using cotransfection reporter gene assays and mammalian two-hybrid competitive inhibition assays to demonstrate their effectiveness as competitive binding inhibitors. The results from this study indicate that these proteomimetics possess the ability to inhibit coactivator-receptor interactions, but via a mixed mode of inhibition. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.10.051
• 作为产物：
  描述：

  2-庚基苯酚 在 四丁基溴化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 1.5h， 生成 ethyl 2-(4-bromo-2-heptylphenoxy) acetate
  参考文献：
  名称：

  4,4′-Unsymmetrically substituted 3,3′-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors

  摘要：

  A series of unsymmetrically substituted biphenyl compounds was designed as alpha helical proteomimetics with the aim of inhibiting the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were synthesized in good overall yields in seven steps starting from 2-bromoanisole. The final products were evaluated using cotransfection reporter gene assays and mammalian two-hybrid competitive inhibition assays to demonstrate their effectiveness as competitive binding inhibitors. The results from this study indicate that these proteomimetics possess the ability to inhibit coactivator-receptor interactions, but via a mixed mode of inhibition. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.10.051