1-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]pent-1-yn-3-ol | 230616-97-4

• 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-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]pent-1-yn-3-ol
• CAS: 230616-97-4
• 化学式: C₂₂H₂₂N₂O₂
• 分子量: 346.429
• InChiKey: HLUFLPKBYRRTOG-UHFFFAOYSA-N

物化性质

• 沸点：
  538.7±50.0 °C(predicted)
• 密度：
  1.09±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]pent-1-yn-3-ol 在 氨 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 N-{1-ethyl-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-ynyl}-N-hydroxyurea
  参考文献：
  名称：

  N-Hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase

  摘要：

  Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (la and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00117-1
• 作为产物：
  描述：

  3-(2,2-Dibromoethenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole 在 正丁基锂 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 1-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]pent-1-yn-3-ol
  参考文献：
  名称：

  N-Hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase

  摘要：

  Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (la and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00117-1

文献信息

• N-Hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase
  作者：Peter J. Connolly、Steven K. Wetter、Kimberly N. Beers、Stephanie C. Hamel、Robert H.K. Chen、Michael P. Wachter、Justin Ansell、Monica M. Singer、Michele Steber、David M. Ritchie、Dennis C. Argentieri

  DOI：10.1016/s0960-894x(99)00117-1

  日期：1999.4

  Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (la and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. (C) 1999 Elsevier Science Ltd. All rights reserved.