1,1-dimethylethyl 4-(7-cyano-5-phenyl-1H-indazol-3-yl)-1-piperidine-carboxylate | 872350-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1,1-dimethylethyl 4-(7-cyano-5-phenyl-1H-indazol-3-yl)-1-piperidine-carboxylate
• 英文别名: tert-butyl 4-(7-cyano-5-phenyl-2H-indazol-3-yl)piperidine-1-carboxylate
• CAS: 872350-13-5
• 化学式: C₂₄H₂₆N₄O₂
• 分子量: 402.496
• InChiKey: XEANFWNOQVYOEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  82
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl 4-(7-cyano-5-phenyl-1H-indazol-3-yl)-1-piperidine-carboxylate 在 氢氧化钾 、 正丁醇 作用下， 生成 1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-phenyl-1H-indazol-3-yl]-1-piperidinecarboxylate
  参考文献：
  名称：

  [EN] NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE
  [FR] NOUVEAUX INDAZOLE CARBOXAMIDES ET LEUR UTILISATION

  摘要：

  公开号：

  WO2006002434A3
• 作为产物：
  描述：

  1,1-dimethylethyl 4-(5-bromo-7-cyano-1H-indazol-3-yl)-1-piperidine-carboxylate 、 苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.25h， 生成 1,1-dimethylethyl 4-(7-cyano-5-phenyl-1H-indazol-3-yl)-1-piperidine-carboxylate
  参考文献：
  名称：

  [EN] NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE
  [FR] NOUVEAUX INDAZOLE CARBOXAMIDES ET LEUR UTILISATION

  摘要：

  公开号：

  WO2006002434A3

文献信息

• Novel Indazole Carboxamides And Their Use
  申请人：Kerns K. Jeffrey

  公开号：US20070281933A1

  公开（公告）日：2007-12-06

  The invention is directed to novel indazole carboxamide derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1 and Z are defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及一种新型吲唑羧酰胺衍生物。具体而言，本发明涉及公式I所示的化合物，其中R1和Z的定义如下，并且涉及其药学上可接受的盐。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，例如风湿性关节炎、哮喘和COPD（慢性阻塞性肺疾病）。因此，本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• Indazole carboxamides and their use
  申请人：Kerns Jeffrey K.

  公开号：US08501780B2

  公开（公告）日：2013-08-06

  The invention is directed to novel indazole carboxamide derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1 and Z are defined below, and to pharmaceutically-acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲唑羧酰胺衍生物。具体而言，本发明涉及符合式I的化合物：其中R1和Z如下所定义，并且其药学上可接受的盐。本发明的化合物是IKK2的抑制剂，并可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘和COPD（慢性阻塞性肺疾病）。因此，本发明还涉及包括本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包括本发明化合物的药物组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE
  申请人：GlaxoSmithKline LLC

  公开号：EP1758578B1

  公开（公告）日：2010-12-29
• US8501780B2
  申请人：——

  公开号：US8501780B2

  公开（公告）日：2013-08-06
• [EN] NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE<br/>[FR] NOUVEAUX INDAZOLE CARBOXAMIDES ET LEUR UTILISATION
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2006002434A3

  公开（公告）日：2006-06-15