8-(2-chloronicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide | 503555-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 8-(2-chloronicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
• 英文别名: 8-[(2-chloropyridine-3-carbonyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• CAS: 503555-29-1
• 化学式: C₂₄H₁₇ClFN₅O₂
• 分子量: 461.883
• InChiKey: SYFDUZQHFKRFGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-(2-chloronicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide 、 甲胺 以 乙醇 为溶剂， 反应 48.0h， 以61%的产率得到1-(4-fluorophenyl)-8-({[2-(methylamino)pyridin-3-yl]-carbonyl}amino)-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

文献信息

• 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
• US6956052B2
  申请人：——

  公开号：US6956052B2

  公开（公告）日：2005-10-18
• US7186743B2
  申请人：——

  公开号：US7186743B2

  公开（公告）日：2007-03-06
• [EN] SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSES DE PYRAZOLYLE SUBSTITUES DESTINES AU TRAITEMENT DE L'INFLAMMATION
  申请人：PHARMACIA CORP

  公开号：WO2003024935A2

  公开（公告）日：2003-03-27

  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.