3-[1-(3-氨基苯基)-3-叔丁基-1H-吡唑-5-基]-1-(2,3-二氯苯基)脲 | 227622-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-[1-(3-氨基苯基)-3-叔丁基-1H-吡唑-5-基]-1-(2,3-二氯苯基)脲
• 英文名称: N-[1-(3-aminophenyl)-3-(tert-butyl)pyrazol-5-yl][(2,3-dichlorophenyl)amino]carboxamide
• 英文别名: N-(1-(3-aminophenyl)-3-tert-butyl-5-pyrazolyl)-N'-(2,3-dichlorophenyl)urea；3-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-1-(2,3-dichlorophenyl)urea；1-[2-(3-aminophenyl)-5-tert-butylpyrazol-3-yl]-3-(2,3-dichlorophenyl)urea
• CAS: 227622-98-2
• 化学式: C₂₀H₂₁Cl₂N₅O
• 分子量: 418.326
• InChiKey: LDXAGTHPWDVZFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  85
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 3-[1-(3-氨基苯基)-3-叔丁基-1H-吡唑-5-基]-1-(2,3-二氯苯基)脲 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-(3-{3-tert-Butyl-5-[3-(2,3-dichloro-phenyl)-ureido]-pyrazol-1-yl}-phenyl)-acetamide
  参考文献：
  名称：

  1-Phenyl-5-pyrazolyl ureas: potent and selective p38 kinase inhibitors

  摘要：

  Inhibitors of the MAP kinase p38 are potentially useful for the treatment of arthritis and osteoporosis. Several 2,3-dichlorophenyl ureas were identified as small-molecule inhibitors of p38 by a combinatorial chemistry effort. Optimization for cellular potency led to the discovery of a new class of potent and selective p38 kinase inhibitors, exemplified by the 1-phenyl-5-pyrazolyl urea 7 (IC50 = 13 nM). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00272-9
• 作为产物：
  描述：

  新戊酰基乙腈 在 铁粉 、 溶剂黄146 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 18.0h， 生成 3-[1-(3-氨基苯基)-3-叔丁基-1H-吡唑-5-基]-1-(2,3-二氯苯基)脲
  参考文献：
  名称：

  1-Phenyl-5-pyrazolyl ureas: potent and selective p38 kinase inhibitors

  摘要：

  Inhibitors of the MAP kinase p38 are potentially useful for the treatment of arthritis and osteoporosis. Several 2,3-dichlorophenyl ureas were identified as small-molecule inhibitors of p38 by a combinatorial chemistry effort. Optimization for cellular potency led to the discovery of a new class of potent and selective p38 kinase inhibitors, exemplified by the 1-phenyl-5-pyrazolyl urea 7 (IC50 = 13 nM). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00272-9

文献信息

• ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY
  申请人：Bayer Healthcare LLC

  公开号：US20160015697A1

  公开（公告）日：2016-01-21

  This invention relates to methods of using aryl ureas to treat diseases mediated by the VEGF induced signal transduction pathway characterized by abnormal angiogenesis or hyperpermeability processes.

  这项发明涉及使用芳基脲类化合物治疗由异常血管生成或高渗透性过程特征的VEGF诱导信号转导通路介导的疾病的方法。
• Aryl Ureas With Angiogenisis Inhibiting Activity
  申请人：Dumas Jacques

  公开号：US20080227828A1

  公开（公告）日：2008-09-18

  This invention relates to methods of using aryl ureas to treat diseases mediated by the VEGF induced signal transduction pathway characterized by abnormal angiogenesis or hyperpermeability processes.

  本发明涉及使用芳基脲类化合物治疗由VEGF诱导的信号转导通路介导的异常血管生成或高渗透过程引起的疾病的方法。
• ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY
  申请人：DUMAS Jacques

  公开号：US20120289552A1

  公开（公告）日：2012-11-15

  This invention relates to methods of using aryl ureas to treat diseases mediated by the VEGF induced signal transduction pathway characterized by abnormal angiogenesis or hyperpermeability processes.

  本发明涉及使用芳基脲类化合物治疗由VEGF诱导的信号转导通路介导的以异常血管生成或高渗透过程为特征的疾病的方法。
• Aryl ureas with angiogenesis inhibiting activity
  申请人：Bayer Healthcare LLC

  公开号：EP2324825A1

  公开（公告）日：2011-05-25

  This invention relates to the use of aryl ureas in the manufacture of a medicament for treating or preventing diseases characterized by abnormal angiogenesis or hyperpermeability processes which are mediated by the VEGF induced signal transduction pathway.

  本发明涉及使用芳基脲类制造一种药物，用于治疗或预防以血管内皮生长因子诱导的信号转导通路介导的异常血管生成或高渗透性过程为特征的疾病。
• Aryl ureas with angiogenisis inhibiting activity
  申请人：Bayer Healthcare LLC

  公开号：US10653684B2

  公开（公告）日：2020-05-19

  This invention relates to methods of using aryl ureas to treat diseases mediated by the VEGF induced signal transduction pathway characterized by abnormal angiogenesis or hyperpermeability processes.

  本发明涉及使用芳基脲类治疗由血管内皮生长因子诱导的信号转导通路介导的疾病的方法，这些疾病的特征是血管异常生成或高渗透性过程。