1-(4-乙酰基苯基)-3-吡啶-4-基脲 | 124420-91-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-乙酰基苯基)-3-吡啶-4-基脲
• 英文名称: 1-(4-Acetyl-phenyl)-3-pyridin-4-yl-urea
• 英文别名: 1-(4-Acetylphenyl)-3-pyridin-4-ylurea
• CAS: 124420-91-3
• 化学式: C₁₄H₁₃N₃O₂
• mdl: MFCD05990677
• 分子量: 255.276
• InChiKey: BOVUJPIFTBVJAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 、 4-乙酰苯基异氰酸酯 以 四氢呋喃 为溶剂， 以82%的产率得到1-(4-乙酰基苯基)-3-吡啶-4-基脲
  参考文献：
  名称：

  N-Phenyl-N'-pyridinylureas as anticonvulsant agents

  摘要：

  A series of N-phenyl-N'-pyridinylureas was examined for anticonvulsant activity. Extensive structure/activity investigations revealed optimal activity in the N-(2,6-disubstituted-phenyl)-N'-(4-pyridinyl)urea series, with 37 exhibiting the best overall anticonvulsant profile. Compound 37 was effective against seizures induced by maximal electroshock but did not protect mice from clonic seizures produced by the convulsant pentylenetetrazol. The overall pharmacological profile suggests that 37 would be of therapeutic use in the treatment of generalized tonic-clonic and partial seizures. Compound 37 was selected for Phase 1 clinical trials.

  DOI：

  10.1021/jm00164a061

文献信息

• N-Phenyl-N'-pyridinylureas as anticonvulsant agents
  作者：Michael R. Pavia、Sandra J. Lobbestael、Charles P. Taylor、Fred M. Hershenson、David L. Miskell

  DOI：10.1021/jm00164a061

  日期：1990.2

  A series of N-phenyl-N'-pyridinylureas was examined for anticonvulsant activity. Extensive structure/activity investigations revealed optimal activity in the N-(2,6-disubstituted-phenyl)-N'-(4-pyridinyl)urea series, with 37 exhibiting the best overall anticonvulsant profile. Compound 37 was effective against seizures induced by maximal electroshock but did not protect mice from clonic seizures produced by the convulsant pentylenetetrazol. The overall pharmacological profile suggests that 37 would be of therapeutic use in the treatment of generalized tonic-clonic and partial seizures. Compound 37 was selected for Phase 1 clinical trials.