N-(4-Pyridyl)-N'-(m-nitro-phenyl)-harnstoff | 4300-45-2

• 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-(4-Pyridyl)-N'-(m-nitro-phenyl)-harnstoff
• 英文别名: 1-(3-nitro-phenyl)-3-pyridin-4-yl-urea；N-(3-nitrophenyl)-N'-(4-pyridinyl)urea；1-(3-nitrophenyl)-3-pyridin-4-ylurea
• CAS: 4300-45-2
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: FBWHMKSJWZYNKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 、 3-硝基苯异氢酸酯 以 四氢呋喃 为溶剂， 以79%的产率得到N-(4-Pyridyl)-N'-(m-nitro-phenyl)-harnstoff
  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

• A comparative study of diaryl urea molecules with and without sulfonamide group on Carbonic anhydrase IX and XII inhibition and its consequence on breast cancer cells
  作者：Joy Debnath、Dhananjaya Keshamasetthy、Jacob Combs、Katherine Leon、Daniela Vullo、Abhijit Chatterjee、Robert McKenna、Claudiu T. Supuran

  DOI：10.1016/j.bioorg.2024.107192

  日期：2024.4