3-[2-(5-Ethyl-3,4-diphenylpyrazol-1-yl)phenyl]benzaldehyde | 300658-45-1

• 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: 3-[2-(5-Ethyl-3,4-diphenylpyrazol-1-yl)phenyl]benzaldehyde
• CAS: 300658-45-1
• 化学式: C₃₀H₂₄N₂O
• 分子量: 428.533
• InChiKey: NOYAHTMJXNVSOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[2-(5-Ethyl-3,4-diphenylpyrazol-1-yl)phenyl]benzaldehyde 、 三甲基氰硅烷 在 三乙胺 、 盐酸 作用下， 生成 2-[3-[2-(5-Ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenyl]-2-hydroxyacetic 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：

  (E)-N-(2-bromophenyl)-N'-(1,2-diphenylethylidene)propionohydrazide 在 四(三苯基膦)钯 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[2-(5-Ethyl-3,4-diphenylpyrazol-1-yl)phenyl]benzaldehyde
  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

• Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP)
  作者：Richard Sulsky、David R. Magnin、Yanting Huang、Ligaya Simpkins、Prakash Taunk、Manorama Patel、Yeheng Zhu、Terry R. Stouch、Donna Bassolino-Klimas、Rex Parker、Thomas Harrity、Robert Stoffel、David S. Taylor、Thomas B. Lavoie、Kevin Kish、Bruce L. Jacobson、Steven Sheriff、Leonard P. Adam、William R. Ewing、Jeffrey A. Robl

  DOI：10.1016/j.bmcl.2006.12.044

  日期：2007.6

  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.