N-[3-(diethylcarbamoyl)phenyl]-2-methoxy-5-nitrobenzamide | 935698-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[3-(diethylcarbamoyl)phenyl]-2-methoxy-5-nitrobenzamide
• CAS: 935698-27-4
• 化学式: C₁₉H₂₁N₃O₅
• 分子量: 371.393
• InChiKey: PQMZWRZWUFZZCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[3-(diethylcarbamoyl)phenyl]-2-methoxy-5-nitrobenzamide 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 生成 N-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-5-nitrobenzamide
  参考文献：
  名称：

  Acryloylamino-salicylanilides as EGFR PTK inhibitors

  摘要：

  A series of acryloylamino-salicylanilides were synthesized as inhibitors of EGFR PTK. A strategy of pseudo six-membered ring formed through intramolecular hydrogen bonding in salicylanilides is employed to mimic the planar pyrimidine ring of quinazoline EGFR inhibitors. Acrylamido moiety is incorporated to target the Cys-773 of EGFR specifically. Some of the obtained compounds exhibited good activity as EGFR inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.088
• 作为产物：
  描述：

  2-甲氧基-5-硝基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-[3-(diethylcarbamoyl)phenyl]-2-methoxy-5-nitrobenzamide
  参考文献：
  名称：

  Acryloylamino-salicylanilides as EGFR PTK inhibitors

  摘要：

  A series of acryloylamino-salicylanilides were synthesized as inhibitors of EGFR PTK. A strategy of pseudo six-membered ring formed through intramolecular hydrogen bonding in salicylanilides is employed to mimic the planar pyrimidine ring of quinazoline EGFR inhibitors. Acrylamido moiety is incorporated to target the Cys-773 of EGFR specifically. Some of the obtained compounds exhibited good activity as EGFR inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.088

文献信息

• Acryloylamino-salicylanilides as EGFR PTK inhibitors
  作者：Wei Deng、Zongru Guo、Yanshen Guo、Zhiqiang Feng、Yi Jiang、Fengming Chu

  DOI：10.1016/j.bmcl.2005.06.088

  日期：2006.1

  A series of acryloylamino-salicylanilides were synthesized as inhibitors of EGFR PTK. A strategy of pseudo six-membered ring formed through intramolecular hydrogen bonding in salicylanilides is employed to mimic the planar pyrimidine ring of quinazoline EGFR inhibitors. Acrylamido moiety is incorporated to target the Cys-773 of EGFR specifically. Some of the obtained compounds exhibited good activity as EGFR inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.