3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-yn-1-ol | 230616-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-yn-1-ol
• CAS: 230616-95-2
• 化学式: C₂₀H₁₈N₂O₂
• 分子量: 318.375
• InChiKey: YTQNOCNEPCWDEP-UHFFFAOYSA-N

物化性质

• 沸点：
  526.7±50.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-yn-1-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-Hydroxy-N-(1-(1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl)-1-propyn-3-yl)urea
  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 四丁基氟化铵 、 仲丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-yn-1-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

• US5925769A
  申请人：——

  公开号：US5925769A

  公开（公告）日：1999-07-20
• US6028202A
  申请人：——

  公开号：US6028202A

  公开（公告）日：2000-02-22
• 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.