N-(carbamoylamino)-2-[2-(pyridin-3-yl)phenyl]acetamide | 1332861-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(carbamoylamino)-2-[2-(pyridin-3-yl)phenyl]acetamide
• 英文别名: [[2-(2-Pyridin-3-ylphenyl)acetyl]amino]urea；[[2-(2-pyridin-3-ylphenyl)acetyl]amino]urea
• CAS: 1332861-54-7
• 化学式: C₁₄H₁₄N₄O₂
• 分子量: 270.291
• InChiKey: QTZXPHDBPPPFRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  97.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3’-吡啶基l)苯乙酸 在 氯化亚砜 、 氨 作用下， 反应 1.33h， 生成 N-(carbamoylamino)-2-[2-(pyridin-3-yl)phenyl]acetamide
  参考文献：
  名称：

  Substituted 2-[2-(pyridin-3-yl) phenyl] acetamides and ureas: design, synthesis, and anticonvulsant screening in mice

  摘要：

  Five novel 2-[2[(pyridin-3-yl) phenyl] acetamides and ureas were designed based on a two-point pharmacophore, synthesized by improved methods, and screened for anticonvulsant activity in maximal electroshock seizure (MES) and ScPTZ-induced seizure models in Swiss mice at doses of 30, 100, and 300 mg/kg body weight. Compound 15 displayed potent anticonvulsant activity in MES test with ED50 value of 8.28 mg/kg and higher protective index (TD50/ED50 = 26) compared with Phenytoin, which can be considered as a promising lead.

  DOI：

  10.1007/s00044-011-9717-y

文献信息

• Substituted 2-[2-(pyridin-3-yl) phenyl] acetamides and ureas: design, synthesis, and anticonvulsant screening in mice
  作者：A. V. Shindikar、C. L. Viswanathan

  DOI：10.1007/s00044-011-9717-y

  日期：2012.8

  Five novel 2-[2[(pyridin-3-yl) phenyl] acetamides and ureas were designed based on a two-point pharmacophore, synthesized by improved methods, and screened for anticonvulsant activity in maximal electroshock seizure (MES) and ScPTZ-induced seizure models in Swiss mice at doses of 30, 100, and 300 mg/kg body weight. Compound 15 displayed potent anticonvulsant activity in MES test with ED50 value of 8.28 mg/kg and higher protective index (TD50/ED50 = 26) compared with Phenytoin, which can be considered as a promising lead.