1-(4-nitrophenyl)-3-pyridin-4-yl urea | 13252-30-7

• 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-(4-nitrophenyl)-3-pyridin-4-yl urea
• 英文别名: 1-(4-Nitrophenyl)-3-pyridin-4-ylurea
• CAS: 13252-30-7
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: NJDNPPDDOKMOCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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-(4-nitrophenyl)-3-pyridin-4-yl urea 在 镍 氢气 作用下， 以 乙二醇甲醚 为溶剂， 以72%的产率得到N-(4-aminophenyl)-N'-(4-pyridinyl)urea hydrochloride
  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 、 异氰酸对硝基苯 以 甲苯 为溶剂， 以76%的产率得到1-(4-nitrophenyl)-3-pyridin-4-yl urea
  参考文献：
  名称：

  N-芳基-N'-吡啶基脲作为热潜能引发剂的取代作用对环氧化物开环聚合的影响

  摘要：

  一系列ñ -芳基- ñ “ -吡啶基脲由4-氨基吡啶（4AP）的与相应的异氰酸酯的反应，如异氰酸苯酯，4-甲基苯基异氰酸酯，4-甲氧基苯基异氰酸酯，4合成-氯苯基异氰酸酯，4 - （三氟甲基）苯基异氰酸酯和4-硝基苯基异氰酸酯。通过差示扫描量热法（DSC）以10℃/ min的加热速率评价在作为引发剂的脲存在下的双酚A的二缩水甘油醚（DGEBA）的本体聚合。所得的DSC谱图表明高于140°C的放热峰，而由DGEBA和原始4AP组成的制剂测得的DSC谱图表明在120°C附近有放热峰，这表明将4AP衍生为相应的尿素是一种有用的策略达到热潜伏期。最高峰温度与脲类芳香环的电子密度相关，也就是说，随着芳香环上取代基的吸电子性质变大，峰会增加。©2015 Wiley Periodicals，Inc. J. Polym。科学，A部分：Polym。2015年，53，2569年至2574年

  DOI：

  10.1002/pola.27726

文献信息

• [EN] UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES<br/>[FR] DERIVES DE SULFONAMIDE SUBSTITUES PAR UREE
  申请人：BIOTIE THERAPIES CORP

  公开号：WO2010146236A1

  公开（公告）日：2010-12-23

  The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I').

  本发明涉及含有脲基的磺胺类衍生物。该发明还涉及将这些衍生物用作胶原受体整合素的抑制剂，特别是α2β1整合素抑制剂，例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中使用，其用作药物，例如用于治疗血栓形成、炎症、癌症和血管疾病，含有它们的药物组合物以及制备它们的方法。这些磺胺类衍生物具有一般式(I)或(I')。
• UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES
  申请人：Koivunen Jarkko Tapani

  公开号：US20120196884A1

  公开（公告）日：2012-08-02

  The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I′).

  本发明涉及含有尿素基团的磺酰胺衍生物。本发明还涉及将这些衍生物用作胶原受体整合素的抑制剂，特别是α2β1整合素抑制剂，例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中，将其用作药物，例如用于治疗血栓形成、炎症、癌症和血管疾病，包含它们的制药组合物以及制备它们的过程。磺酰胺衍生物具有通式（I）或（I′）。
• 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.
• Substituent effect of <i>N</i> -aryl-<i>N</i> ′-pyridyl ureas as thermal latent initiators on ring-opening polymerization of epoxide
  作者：Naoyuki Makiuchi、Atsushi Sudo、Takeshi Endo

  DOI：10.1002/pola.27726

  日期：2015.11.15

  series of N‐aryl‐N′‐pyridyl ureas were synthesized by the reactions of 4‐aminopyridine (4AP) with the corresponding isocyanates such as phenyl isocyanate, 4‐methylphenyl isocyanate, 4‐methoxyphenyl isocyanate, 4‐chlorophenyl isocyanate, 4‐(trifluoromethyl)phenyl isocyanate, and 4‐nitrophenyl isocyanate. Bulk polymerization of diglycidyl ether of bisphenol A (DGEBA) in the presence of the ureas as initiators

  一系列ñ -芳基- ñ “ -吡啶基脲由4-氨基吡啶（4AP）的与相应的异氰酸酯的反应，如异氰酸苯酯，4-甲基苯基异氰酸酯，4-甲氧基苯基异氰酸酯，4合成-氯苯基异氰酸酯，4 - （三氟甲基）苯基异氰酸酯和4-硝基苯基异氰酸酯。通过差示扫描量热法（DSC）以10℃/ min的加热速率评价在作为引发剂的脲存在下的双酚A的二缩水甘油醚（DGEBA）的本体聚合。所得的DSC谱图表明高于140°C的放热峰，而由DGEBA和原始4AP组成的制剂测得的DSC谱图表明在120°C附近有放热峰，这表明将4AP衍生为相应的尿素是一种有用的策略达到热潜伏期。最高峰温度与脲类芳香环的电子密度相关，也就是说，随着芳香环上取代基的吸电子性质变大，峰会增加。©2015 Wiley Periodicals，Inc. J. Polym。科学，A部分：Polym。2015年，53，2569年至2574年