1-(2,4-Dibutoxy-phenyl)-2-pyridin-4-yl-ethane-1,2-dione | 384820-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2,4-Dibutoxy-phenyl)-2-pyridin-4-yl-ethane-1,2-dione
• 英文别名: 1-(2,4-Dibutoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
• CAS: 384820-27-3
• 化学式: C₂₁H₂₅NO₄
• 分子量: 355.434
• InChiKey: GFFHDCCOFXSXAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氯苯甲醛 、 1-(2,4-Dibutoxy-phenyl)-2-pyridin-4-yl-ethane-1,2-dione 在 ammonium acetate 、 溶剂黄146 作用下， 以65%的产率得到2-(4-chlorophenyl)-4-(2,4-di(n-butyloxy)phenyl)-5-(4-pyridyl)imidazole
  参考文献：
  名称：

  Substituted Imidazoles as Glucagon Receptor Antagonists

  摘要：

  A modestly active, nonselective triarylimidazole lead was optimized for binding affinity with the human glucagon receptor. This led to the identification of a 2- and/or 4-alkyl or alkyloxy substituent on the imidazole C4-aryl group as a structural determinant for significant enhancement in binding with the glucagon receptor (e.g., 41, IC50 = 0.053 muM) and selectivity (> 1000x) over p38 MAP kinase in this class of compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00498-x
• 作为产物：
  描述：

  在 selenium(IV) oxide 、 溶剂黄146 作用下， 以50%的产率得到1-(2,4-Dibutoxy-phenyl)-2-pyridin-4-yl-ethane-1,2-dione
  参考文献：
  名称：

  Substituted Imidazoles as Glucagon Receptor Antagonists

  摘要：

  A modestly active, nonselective triarylimidazole lead was optimized for binding affinity with the human glucagon receptor. This led to the identification of a 2- and/or 4-alkyl or alkyloxy substituent on the imidazole C4-aryl group as a structural determinant for significant enhancement in binding with the glucagon receptor (e.g., 41, IC50 = 0.053 muM) and selectivity (> 1000x) over p38 MAP kinase in this class of compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00498-x