1-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid ethyl ester

• 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-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid ethyl ester
• 英文别名: ethyl 1-(3-fluorophenyl)-5-pyridin-4-ylpyrazole-4-carboxylate
• 化学式: C₁₇H₁₄FN₃O₂
• 分子量: 311.315
• InChiKey: ATFVNOGFQSTOKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid ethyl ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2006015860A3
• 作为产物：
  描述：

  ethyl 2-(dimethylaminomethylene)-3-oxo-3-(4-pyridyl)propanoate 、 (3-氟苯基)肼 以 溶剂黄146 为溶剂， 生成 1-(3-fluorophenyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2006015860A3

文献信息

• Pyrazole Derivatives for Treating Condit Ions Mediated by Activation of the Adeno Sine A2B or A3 Receptor
  申请人：Bloomfield Charles Graham

  公开号：US20070225335A1

  公开（公告）日：2007-09-27

  Compounds of formula I in free or salt form, wherein R 1 , R 2 , R 3 and R 4 have the meanings as indicated in the specification, are useful for treating a condition mediated by activation of the adenosine A2b receptor or the adenosine A3 receptor, particularly an inflammatory or obstructive airways disease. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  公式I的化合物，无论是自由形式还是盐形式，其中R1、R2、R3和R4的含义如规范所示，对于治疗通过激活腺苷A2b受体或腺苷A3受体介导的疾病，尤其是炎症性或阻塞性呼吸道疾病是有用的。还描述了包含该化合物的制药组合物和制备该化合物的过程。
• PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR
  申请人：Novartis AG

  公开号：EP1799206A2

  公开（公告）日：2007-06-27
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2006015860A2

  公开（公告）日：2006-02-16

  Compounds of formula (I) in free or salt form, wherein R1, R2, R3 and R4 have the meanings as indicated in the specification, are useful for treating a condition mediated by activation of the adenosine Alb receptor or the adenosine A3 receptor, particularly an inflammatory or obstructive airways disease. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.
• [EN] PYRAZOLE DERIVATIVES FOR TREATING CONDITIONS MEDIATED BY ACTIVATION OF THE ADENOSINE A2B OR A3 RECEPTOR<br/>[FR] COMPOSES ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2006015860A3

  公开（公告）日：2006-06-15