4-(7-fluoro-3-methylquinoxalin-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-ylamine | 1301603-52-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(7-fluoro-3-methylquinoxalin-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-ylamine
• 英文别名: 4-(7-Fluoro-3-methyl-quinoxalin-2-yl)-6-(3,5-trimethoxy-phenyl)-pyrimidin-2-ylamine；4-(7-fluoro-3-methylquinoxalin-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
• CAS: 1301603-52-0
• 化学式: C₂₂H₂₀FN₅O₃
• 分子量: 421.431
• InChiKey: UDZHBMCKUXKQDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 异丙醇 为溶剂， 反应 48.0h， 生成 4-(7-fluoro-3-methylquinoxalin-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-ylamine
  参考文献：
  名称：

  Synthesis and Biological Evaluation of New Quinoxaline Derivatives as Antioxidant and Anti-Inflammatory Agents

  摘要：

  We report the synthesis, anti‐inflammatory, and antioxidant activities of novel quinoxaline and quinoxaline 1,4‐di‐N‐oxide derivatives. Microwave‐assisted methods have been used to optimize reaction times and to improve yields. The tested compounds presented important scavenging activities and promising in vitro inhibition of soybean lipoxygenase (LOX). Two of the best LOX inhibitors (compounds 7b and 8f) were evaluated as in vivo anti‐inflammatory agents using the carrageenin‐induced edema model. One of them (compound 7b) showed important in vivo anti‐inflammatory effect (41%) similar to that of indomethacin (47%) used as the reference drug.

  DOI：

  10.1111/j.1747-0285.2011.01076.x

文献信息

• Synthesis and Biological Evaluation of New Quinoxaline Derivatives as Antioxidant and Anti-Inflammatory Agents
  作者：Asunción Burguete、Eleni Pontiki、Dimitra Hadjipavlou-Litina、Saioa Ancizu、Raquel Villar、Beatriz Solano、Elsa Moreno、Enrique Torres、Silvia Pérez、Ignacio Aldana、Antonio Monge

  DOI：10.1111/j.1747-0285.2011.01076.x

  日期：2011.4

  We report the synthesis, anti‐inflammatory, and antioxidant activities of novel quinoxaline and quinoxaline 1,4‐di‐N‐oxide derivatives. Microwave‐assisted methods have been used to optimize reaction times and to improve yields. The tested compounds presented important scavenging activities and promising in vitro inhibition of soybean lipoxygenase (LOX). Two of the best LOX inhibitors (compounds 7b and 8f) were evaluated as in vivo anti‐inflammatory agents using the carrageenin‐induced edema model. One of them (compound 7b) showed important in vivo anti‐inflammatory effect (41%) similar to that of indomethacin (47%) used as the reference drug.