2-phenyl-6-aminoimidazo<2,1-a>phthalazine | 54753-08-1

• 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-phenyl-6-aminoimidazo<2,1-a>phthalazine
• 英文别名: T0515-4771；2-Phenylimidazo[2,1-a]phthalazin-6-amine
• CAS: 54753-08-1
• 化学式: C₁₆H₁₂N₄
• mdl: MFCD03973118
• 分子量: 260.298
• InChiKey: FPZLJNFFUADCKW-UHFFFAOYSA-N

物化性质

• 溶解度：
  5.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-phenyl-6-aminoimidazo<2,1-a>phthalazine 在 四(三苯基膦)钯 sodium hydroxide 、 N-碘代丁二酰亚胺 作用下， 以 乙二醇二甲醚 、 乙腈 为溶剂， 反应 8.75h， 生成
  参考文献：
  名称：

  Synthesis of Imidazo[2, 1-a]phthalazines, Potential Inhibitors of p38 MAP Kinase. Prediction of Binding Affinities of Protein Ligands

  摘要：

  Based upon molecular modeling, the pharmacophore of potential inhibitors of p38 MAPK (mitogen-activated protein kinases) is discussed and the predictive binding affinities are calculated. Syntheses of original diarylimidazo[2,1-a]phthalazines obtained by Suzuki coupling are described.

  DOI：

  10.1002/1521-4184(200201)335:1<7::aid-ardp7>3.0.co;2-l
• 作为产物：
  描述：

  1,4-二氨基酞嗪 、 2-溴苯乙酮 以 乙醇 为溶剂， 反应 4.0h， 以68%的产率得到2-phenyl-6-aminoimidazo<2,1-a>phthalazine
  参考文献：
  名称：

  Synthesis of Imidazo[2, 1-a]phthalazines, Potential Inhibitors of p38 MAP Kinase. Prediction of Binding Affinities of Protein Ligands

  摘要：

  Based upon molecular modeling, the pharmacophore of potential inhibitors of p38 MAPK (mitogen-activated protein kinases) is discussed and the predictive binding affinities are calculated. Syntheses of original diarylimidazo[2,1-a]phthalazines obtained by Suzuki coupling are described.

  DOI：

  10.1002/1521-4184(200201)335:1<7::aid-ardp7>3.0.co;2-l

文献信息

• Catarzi Daniela, Cecchi Lucia, Colotta Vittoria, Conti Gabriele, Melani F+, Farmaco, 48 (1993) N 4, S 447-457
  作者：Catarzi Daniela, Cecchi Lucia, Colotta Vittoria, Conti Gabriele, Melani F+

  DOI：——

  日期：——
• Synthesis of Imidazo[2, 1-a]phthalazines, Potential Inhibitors of p38 MAP Kinase. Prediction of Binding Affinities of Protein Ligands
  作者：Sylvie Mavel、Isabelle Thery、Alain Gueiffier

  DOI：10.1002/1521-4184(200201)335:1<7::aid-ardp7>3.0.co;2-l

  日期：2002.1

  Based upon molecular modeling, the pharmacophore of potential inhibitors of p38 MAPK (mitogen-activated protein kinases) is discussed and the predictive binding affinities are calculated. Syntheses of original diarylimidazo[2,1-a]phthalazines obtained by Suzuki coupling are described.