5-(4-piperidyl)-4-(pyridin-4-yl)-3-(4-fluorophenyl)pyrazole | 216529-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-piperidyl)-4-(pyridin-4-yl)-3-(4-fluorophenyl)pyrazole
• 英文别名: 5-(4-piperidyl)-4-(4-pyridyl)-3-(4-fluorophenyl)pyrazole；4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine；4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyridine
• CAS: 216529-03-2
• 化学式: C₁₉H₁₉FN₄
• 分子量: 322.385
• InChiKey: JWYBOCFZMDDWKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-piperidyl)-4-(pyridin-4-yl)-3-(4-fluorophenyl)pyrazole 、 聚合甲醛 在 甲酸 作用下， 生成 4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
  参考文献：
  名称：

  Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

  摘要：

  Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38 alpha kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.047
• 作为产物：
  描述：

  tert-butyl 4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-(4-piperidyl)-4-(pyridin-4-yl)-3-(4-fluorophenyl)pyrazole
  参考文献：
  名称：

  Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

  摘要：

  Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38 alpha kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.047

文献信息

• Substituted pyrazoles as p38 kinase inhibitors
  申请人：G. D. Searle & Company

  公开号：US06423713B1

  公开（公告）日：2002-07-23

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula IA wherein R1, R2, R3 and R4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由下式IA定义： 其中R1、R2、R3和R4如规范中所述。
• [EN] SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS<br/>[FR] PYRAZOLES SUBSTITUES UTILISES COMME INHIBITEURS DE LA KINASE p38
  申请人：SEARLE & CO

  公开号：WO2000031063A1

  公开（公告）日：2000-06-02

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula (IA), wherein R?1, R2, R3 and R4¿ are as described in the specification.

  本文描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。 特别感兴趣的化合物由公式（IA）定义，其中R?1，R2，R3和R4¿如规范中所述。
• Substituted pyrazoles as P38 kinase inhibitors
  申请人：G.D. Searle LLC

  公开号：EP1500657A1

  公开（公告）日：2005-01-26

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula (IA), wherein R1, R2, R3 and R4 are as described in the specification.

  描述了一类吡唑衍生物用于治疗 p38 激酶介导的疾病。特别感兴趣的化合物由式（IA）定义、 其中 R1、R2、R3 和 R4 如说明书所述。
• SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP1144403A1

  公开（公告）日：2001-10-17
• SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS
  申请人：G.D. Searle LLC

  公开号：EP1144403B1

  公开（公告）日：2004-10-06