2-(4-Amino-phenyl)-5-trifluoromethyl-2H-pyrazol-3-ol | 374814-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-Amino-phenyl)-5-trifluoromethyl-2H-pyrazol-3-ol
• CAS: 374814-20-7
• 化学式: C₁₀H₈F₃N₃O
• 分子量: 243.188
• InChiKey: WRGWGGBRVKNPCU-UHFFFAOYSA-N

物化性质

• 沸点：
  388.3±42.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.07
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-氟吡啶-4-甲酸 、 2-(4-Amino-phenyl)-5-trifluoromethyl-2H-pyrazol-3-ol 在 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  3,5-Bis(trifluoromethyl)pyrazoles:  A Novel Class of NFAT Transcription Factor Regulator

  摘要：

  A series of bis(trifluoromethyl)pyrazoles (BTPs) has been found to be a novel inhibitor of cytokine production. Identified initially as inhibitors of IL-2 synthesis, the BTPs have been optimized in this regard and even inhibit IL-2 production with a 10-fold enhancement over cyclosporine in an ex vivo assay. Additionally, the BTPs show inhibition of IL-4, IL-5, IL-8, and eotaxin production. Unlike the IL-2 inhibitors, cycloseorine and FK506, the BTPs do not directly inhibit the dephosphorylation of NFAT by calcineurin.

  DOI：

  10.1021/jm990615a
• 作为产物：
  描述：

  1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol 在 铁粉 、 氯化铵 作用下， 以 乙醇 为溶剂， 生成 2-(4-Amino-phenyl)-5-trifluoromethyl-2H-pyrazol-3-ol
  参考文献：
  名称：

  3,5-Bis(trifluoromethyl)pyrazoles:  A Novel Class of NFAT Transcription Factor Regulator

  摘要：

  A series of bis(trifluoromethyl)pyrazoles (BTPs) has been found to be a novel inhibitor of cytokine production. Identified initially as inhibitors of IL-2 synthesis, the BTPs have been optimized in this regard and even inhibit IL-2 production with a 10-fold enhancement over cyclosporine in an ex vivo assay. Additionally, the BTPs show inhibition of IL-4, IL-5, IL-8, and eotaxin production. Unlike the IL-2 inhibitors, cycloseorine and FK506, the BTPs do not directly inhibit the dephosphorylation of NFAT by calcineurin.

  DOI：

  10.1021/jm990615a