(E)-ethyl 3-(2-methoxypyridin-3-yl)acrylate | 1528736-56-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-ethyl 3-(2-methoxypyridin-3-yl)acrylate
• 英文别名: Ethyl 3-(2-methoxy-3-pyridyl)acrylate；ethyl (E)-3-(2-methoxypyridin-3-yl)prop-2-enoate
• CAS: 1528736-56-2
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: IUQBGDTUXITMKK-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 3-(2-methoxypyridin-3-yl)acrylate 在 potassium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 16.0h， 以65%的产率得到3-(2-甲氧基吡啶-3-基)丙烯酸
  参考文献：
  名称：

  Small molecule inhibitors of anthrax lethal factor toxin

  摘要：

  This manuscript describes the preparation of new small molecule inhibitors of Bacillus anthracis lethal factor. Our starting point was the symmetrical, bis-quinolinyl compound 1 (NSC 12155). Optimization of one half of this molecule led to new LF inhibitors that were desymmetrized to afford more drug-like compounds. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.11.009

文献信息

• Small molecule inhibitors of anthrax lethal factor toxin
  作者：John D. Williams、Atiyya R. Khan、Steven C. Cardinale、Michelle M. Butler、Terry L. Bowlin、Norton P. Peet

  DOI：10.1016/j.bmc.2013.11.009

  日期：2014.1

  This manuscript describes the preparation of new small molecule inhibitors of Bacillus anthracis lethal factor. Our starting point was the symmetrical, bis-quinolinyl compound 1 (NSC 12155). Optimization of one half of this molecule led to new LF inhibitors that were desymmetrized to afford more drug-like compounds. (C) 2013 Elsevier Ltd. All rights reserved.