N-(3-cyanopyridin-2-yl)-2-[2-(3-fluorophenyl)ethoxy]acetamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(3-cyanopyridin-2-yl)-2-[2-(3-fluorophenyl)ethoxy]acetamide
• 化学式: C₁₆H₁₄FN₃O₂
• 分子量: 299.304
• InChiKey: BWHAPENEOJPWCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-cyanopyridin-2-yl)-2-[2-(3-fluorophenyl)ethoxy]acetamide 在 双氧水 、 potassium carbonate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 2.5h， 生成 2-[2-(3-fluoro-phenyl)-ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: Optimization of in vitro activity

  摘要：

  Pyrido pyrimidinones are selective agonists of the human high affinity niacin receptor GPR109A (HM74A). They show no activity on the highly homologous low affinity receptor GPR109B (HM74). Starting from a high throughput screening hit the in vitro activity of the pyrido pyrimidinones was significantly improved providing lead compounds suitable for further optimization. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.108
• 作为产物：
  描述：

  2-氨基-3-氰基吡啶 、 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-cyanopyridin-2-yl)-2-[2-(3-fluorophenyl)ethoxy]acetamide
  参考文献：
  名称：

  Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: Optimization of in vitro activity

  摘要：

  Pyrido pyrimidinones are selective agonists of the human high affinity niacin receptor GPR109A (HM74A). They show no activity on the highly homologous low affinity receptor GPR109B (HM74). Starting from a high throughput screening hit the in vitro activity of the pyrido pyrimidinones was significantly improved providing lead compounds suitable for further optimization. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.108

文献信息

• Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: Optimization of in vitro activity
  作者：Jens-Uwe Peters、Holger Kühne、Henrietta Dehmlow、Uwe Grether、Aurelia Conte、Dominik Hainzl、Cornelia Hertel、Nicole A. Kratochwil、Michael Otteneder、Robert Narquizian、Constantinos G. Panousis、Fabienne Ricklin、Stephan Röver

  DOI：10.1016/j.bmcl.2010.07.108

  日期：2010.9

  Pyrido pyrimidinones are selective agonists of the human high affinity niacin receptor GPR109A (HM74A). They show no activity on the highly homologous low affinity receptor GPR109B (HM74). Starting from a high throughput screening hit the in vitro activity of the pyrido pyrimidinones was significantly improved providing lead compounds suitable for further optimization. (c) 2010 Elsevier Ltd. All rights reserved.