1-(2-nitrophenyl)-3-(pyridin-4-yl)urea | 13141-75-8

• 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: 1-(2-nitrophenyl)-3-(pyridin-4-yl)urea
• 英文别名: 1-(2-Nitrophenyl)-3-pyridin-4-ylurea
• CAS: 13141-75-8
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: WIOIHVHTVVGQNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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

• 作为反应物：
  描述：

  1-(2-nitrophenyl)-3-(pyridin-4-yl)urea 在 镍 氢气 作用下， 以 乙二醇甲醚 为溶剂， 以84%的产率得到1-(2-aminophenyl)-3-(yridine-4-yl) urea
  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
• 作为产物：
  描述：

  4-氨基吡啶 、 异腈酸2-硝基苯 以 乙腈 为溶剂， 反应 0.83h， 以89%的产率得到1-(2-nitrophenyl)-3-(pyridin-4-yl)urea
  参考文献：
  名称：

  Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli

  摘要：

  描述了一个由十二个芳基吡啶基脲家族的开发，它们的晶体学和其中一些化合物形成氢键超分子凝胶，具有抗微生物特性。

  DOI：

  10.1039/c4cc04028g

文献信息

• US7217722B2
  申请人：——

  公开号：US7217722B2

  公开（公告）日：2007-05-15
• 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.
• Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli
  作者：Komala Pandurangan、Jonathan A. Kitchen、Salvador Blasco、Francesca Paradisi、Thorfinnur Gunnlaugsson

  DOI：10.1039/c4cc04028g

  日期：——

  The development of a family of twelve aryl pyridyl ureas, their crystallography and the ability of a number of these to form hydrogen bonding supramolecular gels with antimicrobial properties are described.

  描述了一个由十二个芳基吡啶基脲家族的开发，它们的晶体学和其中一些化合物形成氢键超分子凝胶，具有抗微生物特性。