4-{2-[(4-CARBAMOYLPHENYL)AMINO]PYRIMIDIN-4-YL}BENZOIC Acid | 434945-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-{2-[(4-CARBAMOYLPHENYL)AMINO]PYRIMIDIN-4-YL}BENZOIC Acid
• 英文别名: 4-[2-(4-Carbamoylanilino)pyrimidin-4-yl]benzoic acid
• CAS: 434945-24-1
• 化学式: C₁₈H₁₄N₄O₃
• 分子量: 334.334
• InChiKey: WWXXVSFWNZIUOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4-{2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}benzoate 在 sodium hydroxide 作用下， 以 水 为溶剂， 以42%的产率得到4-{2-[(4-CARBAMOYLPHENYL)AMINO]PYRIMIDIN-4-YL}BENZOIC Acid
  参考文献：
  名称：

  Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK

  摘要：

  这项发明通常涉及用于治疗或预防对JNK抑制敏感的疾病的方法，例如代谢状况，包括向需要的患者施用具有以下结构的Anilinopyrimidine衍生物的有效剂量：1或其药用可接受盐，其中R1至R6如本文所定义。

  公开号：

  US20040106634A1

文献信息

• Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20030220330A1

  公开（公告）日：2003-11-27

  Compounds having activity as inhibitors of the JNK pathway are disclosed. The compounds of this invention are anilinopyrimidine derivatives having the following structure: 1 wherein R 1 through R 6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to inhibition of the JNK pathway. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了作为JNK通路抑制剂活性的化合物。本发明的化合物是具有以下结构的苯胺吡嘧啶衍生物：其中R1至R6如本文所定义。这些化合物在治疗对JNK通路抑制敏感的广泛疾病方面具有用途。因此，本文还揭示了治疗这些疾病的方法，以及含有上述化合物中的一个或多个化合物的药物组合物。
• Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20030203926A1

  公开（公告）日：2003-10-30

  Compounds having activity as inhibitors of IKK are disclosed, particularly IKK-2. The compounds of this invention are anilinopyrimidine derivatives having the following structure: 1 wherein R 1 and R 6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to IKK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了作为IKK抑制剂的化合物，特别是IKK-2。本发明的化合物是具有以下结构的苯胺嘧啶衍生物：1其中R1和R6如本文所定义。这些化合物在治疗对IKK抑制有响应的各种疾病方面具有实用性。因此，本文还揭示了治疗这些疾病的方法，以及含有上述化合物之一或多个化合物的药物组合物。
• ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO
  申请人：Signal Pharmaceuticals, LLC

  公开号：EP1349841B1

  公开（公告）日：2009-12-02
• ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO
  申请人：Signal Pharmaceuticals LLC

  公开号：EP1349840B1

  公开（公告）日：2009-03-11
• US7429599B2
  申请人：——

  公开号：US7429599B2

  公开（公告）日：2008-09-30