4-(2-fluoro-3-(2-fluoro-4-(1-methyl-1H-pyrazol-5-yl)phenylthio)phenyl)-tetrahydro-2H-pyran-4-carbonitrile | 1159185-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-fluoro-3-(2-fluoro-4-(1-methyl-1H-pyrazol-5-yl)phenylthio)phenyl)-tetrahydro-2H-pyran-4-carbonitrile
• 英文别名: 4-[2-Fluoro-3-[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile
• CAS: 1159185-88-2
• 化学式: C₂₂H₁₉F₂N₃OS
• 分子量: 411.475
• InChiKey: UCXINFYLIWADNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  76.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  S-2-fluoro-4-(1-methyl-1H-pyrazol-5-yl)phenyl ethanethioate 、 4-(3-bromo-2-fluorophenyl)tetrahydro-2H-pyran-4-carbonitrile 在 palladium diacetate caesium carbonate 、 双(2-二苯基磷苯基)醚 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 生成 4-(2-fluoro-3-(2-fluoro-4-(1-methyl-1H-pyrazol-5-yl)phenylthio)phenyl)-tetrahydro-2H-pyran-4-carbonitrile
  参考文献：
  名称：

  [EN] PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS
  [FR] DÉRIVÉS DE PYRAZOLE COMME INHIBITEURS DE 5-LO

  摘要：

  该发明涉及式（I）化合物，其制备方法，其作为5-脂氧化酶抑制剂的用途以及含有该化合物的药物组合物。

  公开号：

  WO2009069044A1

文献信息

• PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS
  申请人：Pfizer Inc.

  公开号：EP2225229A1

  公开（公告）日：2010-09-08
• Pyrazole Derivatives as 5-LO-Inhibitors
  申请人：Alvira Edgardo

  公开号：US20090227634A1

  公开（公告）日：2009-09-10

  The invention relates to compounds of formula (I) processes for their preparation, their use as 5-lipoxygenase inhibitors and pharmaceutical compositions containing the same.
• TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE
  申请人：Mayer-Barber Katrin

  公开号：US20140171445A1

  公开（公告）日：2014-06-19

  The invention provides a method of enhancing the efficacy of antibiotic treatment of tuberculosis, trypanosomiasis, leprosy, and leishmaniasis involving co-administering to a mammal undergoing antibiotic treatment therapeutically effective amounts of a first compound that is an inhibitor of 5-lipoxygenase and optionally a second compound that is a product of the cyclooxygenase pathways. The invention also provides a pharmaceutical composition comprising an antibiotic, an inhibitor of 5-lipoxygenase, and a product of the cyclooxygenase pathways.
• US8097733B2
  申请人：——

  公开号：US8097733B2

  公开（公告）日：2012-01-17
• [EN] TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE<br/>[FR] TRAITEMENT ET PRÉVENTION DE MALADIES MÉDIÉES PAR DES MICRO-ORGANISMES PAR L'INTERMÉDIAIRE D'UNE MANIPULATION MÉDIÉE PAR DES MÉDICAMENTS DE L'ÉQUILIBRE DES ÉICOSANOÏDES
  申请人：US HEALTH

  公开号：WO2013019926A1

  公开（公告）日：2013-02-07

  The invention provides a method of enhancing the efficacy of antibiotic treatment of tuberculosis, trypanosomiasis, leprosy, and leishmaniasis involving co-administering to a mammal undergoing antibiotic treatment therapeutically effective amounts of a first compound that is an inhibitor of 5-lipoxygenase and optionally a second compound that is a product of the cyclooxygenase pathways. The invention also provides a pharmaceutical composition comprising an antibiotic, an inhibitor of 5-lipoxygenase, and a product of the cyclooxygenase pathways.