potassium 3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate | 503555-19-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: potassium 3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
• 英文别名: Potassium;3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
• CAS: 503555-19-9
• 化学式: C₁₁H₁₃ClN₃O₂*K
• 分子量: 293.794
• InChiKey: UESZGXUYSMPIRL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.15
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-amino-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide 、 potassium 3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到8-({[3-chloro-6-(4-methylpiperazin-1-yl)pyridin-2-yl]carbonyl}amino)-1-(4-fluoro-phenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
  参考文献：
  名称：

  Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship

  摘要：

  Series of aminopyridinecarboxamide-based inhibitors were synthesized and tested against human recombinant IKK-2 and in IL-1 beta stimulated synovial. broblasts. The 2-amino-5-chloropyridine-4-carboxamides were identified as the most potent inhibitors with improved cellular activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.040
• 作为产物：
  描述：

  N-甲基哌嗪 、 二氯吡啶酸 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 72.0h， 以96%的产率得到potassium 3-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
  参考文献：
  名称：

  Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship

  摘要：

  Series of aminopyridinecarboxamide-based inhibitors were synthesized and tested against human recombinant IKK-2 and in IL-1 beta stimulated synovial. broblasts. The 2-amino-5-chloropyridine-4-carboxamides were identified as the most potent inhibitors with improved cellular activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.10.040

文献信息

• [EN] SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSES SUBSTITUES DE PYRAZOLYL UTILISES DANS LE TRAITEMENT DES INFLAMMATIONS
  申请人：PHARMACIA CORP

  公开号：WO2003095430A1

  公开（公告）日：2003-11-20

  The present invention relates to substituted pyrazolyl derivatives of Formula III, compositions comprising such, intermediates, methods of making substituted pyrazolyl derivatives, and methods for treating cancer, inflammation, and inflammation-associated disorders, such as arthritis.

  本发明涉及公式III的取代吡唑衍生物，包括这种衍生物的组合物、中间体、制备取代吡唑衍生物的方法，以及用于治疗癌症、炎症和与炎症相关的疾病，如关节炎的方法。
• Substituted pyrazolyl compounds for the treatment of inflammation
  申请人：Bergmanis A. Arija

  公开号：US20050256180A1

  公开（公告）日：2005-11-17

  The present invention relates to substituted pyrazolyl derivatives, compositions comprising such, intermediates, methods of making substituted pyrazolyl derivatives, and methods for treating cancer, inflammation, and inflammation-associated disorders, such as arthritis.

  本发明涉及取代吡唑基衍生物、包含这种衍生物的组合物、中间体、制备取代吡唑基衍生物的方法，以及治疗癌症、炎症和与炎症有关的疾病，如关节炎的方法。
• SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION
  申请人：Pharmacia Corporation

  公开号：EP1444207A2

  公开（公告）日：2004-08-11
• SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION
  申请人：Pharmacia Corporation

  公开号：EP1501805A1

  公开（公告）日：2005-02-02
• US6956052B2
  申请人：——

  公开号：US6956052B2

  公开（公告）日：2005-10-18