1-(4-Fluoro-phenyl)-2-(3-methyl-pyridin-4-yl)-ethanone | 216076-09-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Fluoro-phenyl)-2-(3-methyl-pyridin-4-yl)-ethanone
• CAS: 216076-09-4
• 化学式: C₁₄H₁₂FNO
• 分子量: 229.254
• InChiKey: SYBAUYICLCWCSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.96
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(4-Fluoro-phenyl)-2-(3-methyl-pyridin-4-yl)-ethanone 在 selenium(IV) oxide 、 乙酸酐 作用下， 生成
  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：

  3,4-二甲基吡啶 、 对氟苯甲酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-Fluoro-phenyl)-2-(3-methyl-pyridin-4-yl)-ethanone
  参考文献：
  名称：

  Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

  摘要：

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.060