4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid ethyl ester | 191030-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid ethyl ester
• 英文别名: ethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]benzoate
• CAS: 191030-51-0
• 化学式: C₂₄H₁₉FN₂O₂
• 分子量: 386.425
• InChiKey: XFJBPPZDGUTGDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid ethyl ester 在 氢氧化钾 作用下， 生成 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid
  参考文献：
  名称：

  Potent, orally absorbed glucagon receptor antagonists

  摘要：

  The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrrole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00081-5
• 作为产物：
  描述：

  4-(2-溴乙酰基)苯甲酸乙酯 在 ammonium acetate 、 sodium hexamethyldisilazane 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 生成 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid ethyl ester
  参考文献：
  名称：

  Potent, orally absorbed glucagon receptor antagonists

  摘要：

  The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrrole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00081-5

文献信息

• Potent, orally absorbed glucagon receptor antagonists
  作者：Stephen E. de Laszlo、Candice Hacker、Bing Li、Dooseop Kim、Malcolm MacCoss、Nathan Mantlo、James V. Pivnichny、Larry Colwell、Gregory E. Koch、Margaret A. Cascieri、William K. Hagmann

  DOI：10.1016/s0960-894x(99)00081-5

  日期：1999.3

  The SAR of 2-pyridyl-3,5-diaryl pyrroles, ligands of the human glucagon receptor and inhibitors of p38 kinase, were investigated. This effort resulted in the identification of 2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrrole 49 (L-168,049), a potent (Kb = 25 nM), selective antagonist of glucagon. (C) 1999 Elsevier Science Ltd. All rights reserved.