1-(4'-Methylphenyl)-4,4-diethoxybutan-1,3-dione | 230616-86-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4'-Methylphenyl)-4,4-diethoxybutan-1,3-dione
• 英文别名: 4,4-diethoxy-1-(4-methylphenyl)butane-1,3-dione
• CAS: 230616-86-1
• 化学式: C₁₅H₂₀O₄
• mdl: MFCD17441318
• 分子量: 264.321
• InChiKey: JPAGABLINHDIKN-UHFFFAOYSA-N

物化性质

• 沸点：
  395.2±32.0 °C(predicted)
• 密度：
  1.072±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.466
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4'-Methylphenyl)-4,4-diethoxybutan-1,3-dione 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-ylcarboxaldehyde
  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：

  对甲基苯乙酮 、 2,2-二乙氧基乙酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4'-Methylphenyl)-4,4-diethoxybutan-1,3-dione
  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

• 1,5-diarylpyrazoles
  申请人：Ortho Pharmaceutical Corporation

  公开号：US06028202A1

  公开（公告）日：2000-02-22

  Compounds of Formula I ##STR1## wherein, R.sub.1 through R.sub.7 are described herein. These compounds inhibit the production of arachidonic acid products associated with 5-lipoxygenase and cyclooxygenase and are useful in the treatment of inflammatory disorders.

  式I的化合物##STR1##其中，R.sub.1至R.sub.7如下所述。这些化合物抑制与5-脂氧合酶和环氧合酶相关的花生四烯酸产物的生产，并可用于治疗炎症性疾病。
• Acetylenic 1,5-diarylpyrazoles as antiinflammatory agents
  申请人：Ortho Pharmaceutical, Corp.

  公开号：US05925769A1

  公开（公告）日：1999-07-20

  Compounds of Formula I ##STR1## wherein, R.sub.1 through R.sub.7 are described herein. These compounds inhibit the production of arachidonic acid products associated with 5-lipoxygenase and cyclooxygenase and are useful in the treatment of inflammatory disorders.

  式I的化合物：##STR1## 其中，R.sub.1到R.sub.7的描述如下。这些化合物抑制与5-脂氧酶和环氧化酶相关的花生四烯酸产物的生成，可用于治疗炎症性疾病。
• 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.