3-tert-butyl-1-{[2-(pyridin-3-yl)phenyl]methyl}urea | 1332861-57-0

• 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: 3-tert-butyl-1-{[2-(pyridin-3-yl)phenyl]methyl}urea
• 英文别名: 1-Tert-butyl-3-[(2-pyridin-3-ylphenyl)methyl]urea；1-tert-butyl-3-[(2-pyridin-3-ylphenyl)methyl]urea
• CAS: 1332861-57-0
• 化学式: C₁₇H₂₁N₃O
• 分子量: 283.373
• InChiKey: NPWYHHLWEHHGIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-[2-(pyridin-3-yl)phenyl]acetamide 在 lead(IV) tetraacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 3-tert-butyl-1-{[2-(pyridin-3-yl)phenyl]methyl}urea
  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