Ethyl 2-[3-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)phenyl]anilino]acetate | 300657-29-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ethyl 2-[3-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)phenyl]anilino]acetate
• CAS: 300657-29-8
• 化学式: C₃₃H₃₁N₃O₂
• 分子量: 501.628
• InChiKey: DRIGXFIHEIXBID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[3-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)phenyl]anilino]acetate 在 sodium hydroxide 作用下， 生成 [2''-(1-ethyl-4,5-diphenyl-1H-imidazol-2-yl)-biphenyl-3-ylamino]-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 硫酸 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Ethyl 2-[3-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)phenyl]anilino]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

文献信息

• HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD
  申请人：Bristol-Myers Squibb Company

  公开号：EP1181014B1

  公开（公告）日：2007-05-23