1-(3-Cyano-[1,6]naphthyridin-2-yl)-3-(2-ethoxy-phenyl)-urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-(3-Cyano-[1,6]naphthyridin-2-yl)-3-(2-ethoxy-phenyl)-urea
• 英文别名: 1-(3-Cyano-1,6-naphthyridin-2-yl)-3-(2-ethoxyphenyl)urea
• 化学式: C₁₈H₁₅N₅O₂
• 分子量: 333.349
• InChiKey: DUJDITQJFWYZHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  99.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰酸2-乙氧基苯酯 、 2-amino-[1,6]naphthyridine-3-carbonitrile 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以59%的产率得到1-(3-Cyano-[1,6]naphthyridin-2-yl)-3-(2-ethoxy-phenyl)-urea
  参考文献：
  名称：

  Design and synthesis of new potent human cytomegalovirus (HCMV) inhibitors based on internally hydrogen-bonded 1,6-naphthyridines

  摘要：

  1,6-Naphthyridine-2-carboxylic acid benzylamides are potent anti-HCMV compounds. Replacement of the amide moiety by other groups containing internal hydrogen bonds was undertaken to extend the SAR. Our results indicated that the urea derivatives showed very good activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00607-7

文献信息

• Design and synthesis of new potent human cytomegalovirus (HCMV) inhibitors based on internally hydrogen-bonded 1,6-naphthyridines
  作者：Laval Chan、Tomislav Stefanac、Jean-François Lavallée、Haolun Jin、Jean Bédard、Suzanne May、Guy Falardeau

  DOI：10.1016/s0960-894x(00)00607-7

  日期：2001.1

  1,6-Naphthyridine-2-carboxylic acid benzylamides are potent anti-HCMV compounds. Replacement of the amide moiety by other groups containing internal hydrogen bonds was undertaken to extend the SAR. Our results indicated that the urea derivatives showed very good activity. (C) 2001 Elsevier Science Ltd. All rights reserved.