5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester | 191030-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: ethyl 5-(4-chlorophenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
• CAS: 191030-84-9
• 化学式: C₁₈H₁₅ClN₂O₂
• 分子量: 326.782
• InChiKey: YXILDSPXTJTSFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester 在 lithium hydroxide 作用下， 生成 4-[5-(4-Chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
  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：

  异烟酰乙酸乙酯 在 ammonium acetate 、 sodium hexamethyldisilazane 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 生成 5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic 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.