4-[5-(4-Fluoro-phenyl)-2H-[1,2,3]triazol-4-yl]-pyridine | 474511-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-[5-(4-Fluoro-phenyl)-2H-[1,2,3]triazol-4-yl]-pyridine
• 英文别名: 4-[5-(4-fluorophenyl)-2H-triazol-4-yl]pyridine
• CAS: 474511-81-4；497165-54-5
• 化学式: C₁₃H₉FN₄
• 分子量: 240.24
• InChiKey: GIUKJOXZIFLOOD-UHFFFAOYSA-N

物化性质

• 沸点：
  405.6±35.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[5-(4-Fluoro-phenyl)-2H-[1,2,3]triazol-4-yl]-pyridine 在 ammonium hydroxide 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 17.33h， 生成 3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine-2,6-diamine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0
• 作为产物：
  描述：

  4-((4-fluorophenyl)ethynyl)pyridine 在 叠氮基三甲基硅烷 作用下， 反应 48.0h， 以81%的产率得到4-[5-(4-Fluoro-phenyl)-2H-[1,2,3]triazol-4-yl]-pyridine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0

文献信息

• [EN] COMPOUNDS AS CASEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA CASÉINE KINASE
  申请人：GRITSCIENCE BIOPHARMACEUTICALS CO LTD

  公开号：WO2021190615A1

  公开（公告）日：2021-09-30

  Provided are novel casein kinase inhibitors, or pharmaceutically acceptable salts thereof. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also provided.

  提供了新型酪蛋白激酶抑制剂，或其药用盐。还提供了相应的药物组合物、治疗方法、合成方法和中间体。
• [EN] TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY<br/>[FR] COMPOSES TRIAZOLE CONVENANT POUR LE TRAITEMENT DE MALADIES ASSOCIEES A L'ACTIVITE INDESIRABLE DES CYTOKINES
  申请人：PROCTER & GAMBLE

  公开号：WO2002088108A1

  公开（公告）日：2002-11-07

  The present invention relates to 4-aryl triazoles having the formula: wherein R1 is independently selected from the group consisting of: lower alkyl, lower alkenyl, lower alkynyl, lower heteroalkyl, lower heteroalkenyl, lower heteroalkynyl, heterocycloalkyl, heteroaryl, halo, CN, OR4, SR4, S(O)R4, S(O)2R4, and NR4R5; and Q is has the general formula: or said compounds are useful in treating diseases associated with unwanted cytokine activity, inter alia, interleukin-1 (IL-1) and tumor necrosis factor (TNF) from cells.

  本发明涉及具有以下式的4-芳基三唑：其中R1独立地选自以下组中的一种：低烷基，低烯基，低炔基，低杂原烷基，低杂原烯基，低杂原炔基，杂环烷基，杂环芳基，卤素，CN，OR4，SR4，S（O）R4，S（O）2R4和NR4R5；Q具有以下通式：或者说这些化合物在治疗与不必要的细胞因子活性相关的疾病方面有用，例如白细胞介素-1（IL-1）和肿瘤坏死因子（TNF）。
• Triazole compounds useful in treating diseases associated with unwanted cytokine activity
  申请人：——

  公开号：US20030013712A1

  公开（公告）日：2003-01-16

  The present invention relates to 4-aryl triazoles having the formula: 1 wherein R 1 is independently selected from the group consisting of: lower alkyl, lower alkenyl, lower alkynyl, lower heteroalkyl, lower heteroalkenyl, lower heteroalkynyl, heterocycloalkyl, heteroaryl, halo, CN, OR 4 , SR 4 , S(O)R 4 , S(O) 2 R 4 , and NR 4 R 5 ; and Q is has the general formula: 2 said compounds are useful in treating diseases associated with unwanted cytokine activity, inter alia, interleukin-1 (IL-1) and tumor necrosis factor (TNF) from cells.

  本发明涉及具有以下式子的4-芳基三唑：1其中R1独立地选自以下组：低烷基，低烯基，低炔基，低杂原烷基，低杂原烯基，低杂原炔基，杂环烷基，杂环芳基，卤素，CN，OR4，SR4，S（O）R4，S（O）2R4和NR4R5; Q具有一般式：2所述化合物在治疗与细胞中不需要的细胞因子活性相关的疾病中有用，包括白细胞介素-1（IL-1）和肿瘤坏死因子（TNF）。
• TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY
  申请人：The Procter & Gamble Company

  公开号：EP1383759A1

  公开（公告）日：2004-01-28
• US6727364B2
  申请人：——

  公开号：US6727364B2

  公开（公告）日：2004-04-27