1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(2-methanesulfonyl-pyridin-4-yl)-ethyl]-amide | 1220171-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(2-methanesulfonyl-pyridin-4-yl)-ethyl]-amide
• 英文别名: 1-(4-fluorophenyl)-N-[1-(2-methylsulfonylpyridin-4-yl)ethyl]pyrazolo[3,4-c]pyridine-4-carboxamide
• CAS: 1220171-03-8
• 化学式: C₂₁H₁₈FN₅O₃S
• 分子量: 439.47
• InChiKey: HEPQFXHMADPWQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-溴-1-(4-氟苯基)-1H-吡唑并[3,4-c]吡啶 在 1,1'-双(二苯基膦)二茂铁 、 二(氰基苯)二氯化钯 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(2-methanesulfonyl-pyridin-4-yl)-ethyl]-amide
  参考文献：
  名称：

  Identification of novel azaindazole CCR1 antagonist clinical candidates

  摘要：

  Exploring various cyclization strategies, using a submicromolar pyrazole HTS screening hit 6 as a starting point, a novel indazole based CCR1 antagonist core was discovered. This report presents the design and SAR of CCR1 indazole and azaindazole antagonists leading to the identification of three development compounds, including 19e that was advanced to early clinical trials.

  DOI：

  10.1016/j.bmcl.2018.12.024

文献信息

• Azaindazole Compounds As CCR1 Receptor Antagonists
  申请人：COOK Brian Nicholas

  公开号：US20100093724A1

  公开（公告）日：2010-04-15

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are methods of making and methods of using same.

  本发明涉及式(I)化合物，其可用于治疗多种疾病和障碍，这些疾病和障碍是通过CCR1的活性介导或维持的，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。同时，本发明还涉及制备方法和使用方法。
• Pyridinyl Compounds Useful As Intermediates
  申请人：COOK Brian Nicholas

  公开号：US20120136158A1

  公开（公告）日：2012-05-31

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are intermediates thereof, and methods of making and methods of using same.

  本发明涉及一种式(I)的化合物，可用于治疗多种通过CCR1活性介导或维持的疾病和障碍，包括自身免疫性疾病，例如类风湿性关节炎和多发性硬化症。本发明还涉及其中间体，以及制备和使用它们的方法。
• AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS
  申请人：BOEHRINGER INGELHEIM INTERNATIONAL GMBH

  公开号：EP2346868A1

  公开（公告）日：2011-07-27
• US7879873B2
  申请人：——

  公开号：US7879873B2

  公开（公告）日：2011-02-01
• US8063065B2
  申请人：——

  公开号：US8063065B2

  公开（公告）日：2011-11-22