ethyl 2-((2'-(4,5-diphenyl-1H-pyrrol-2-yl)-[1,1'-biphenyl]-3-yl)oxy)acetate | 1003863-68-0

• 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-((2'-(4,5-diphenyl-1H-pyrrol-2-yl)-[1,1'-biphenyl]-3-yl)oxy)acetate
• CAS: 1003863-68-0
• 化学式: C₃₂H₂₇NO₃
• 分子量: 473.571
• InChiKey: QOADMOGZSNDBOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.62
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-((2'-(4,5-diphenyl-1H-pyrrol-2-yl)-[1,1'-biphenyl]-3-yl)oxy)acetate 在 sodium hydroxide 作用下， 生成 2-[3-[2-(4,5-diphenyl-1H-pyrrol-2-yl)phenyl]phenoxy]acetic acid
  参考文献：
  名称：

  Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP)

  摘要：

  Herein we report the first disclosure of biphenyl azoles that are nanomolar binders of adipocyte fatty acid binding protein (aFABP or aP2) with up to thousand-fold selectivity against muscle fatty acid binding protein and epidermal fatty acid binding protein. In addition a new radio-ligand to determine binding against the three fatty acid binding proteins was also synthesized. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.044
• 作为产物：
  描述：

  在 四(三苯基膦)钯 ammonium acetate 、 三溴化硼 、 sodium hydride 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 ethyl 2-((2'-(4,5-diphenyl-1H-pyrrol-2-yl)-[1,1'-biphenyl]-3-yl)oxy)acetate
  参考文献：
  名称：

  Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP)

  摘要：

  Herein we report the first disclosure of biphenyl azoles that are nanomolar binders of adipocyte fatty acid binding protein (aFABP or aP2) with up to thousand-fold selectivity against muscle fatty acid binding protein and epidermal fatty acid binding protein. In addition a new radio-ligand to determine binding against the three fatty acid binding proteins was also synthesized. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.044