2-(2,4-dichlorophenyl)benzo[d]oxazol-5-amine | 293737-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2,4-dichlorophenyl)benzo[d]oxazol-5-amine
• 英文别名: 2-(2,4-Dichlorophenyl)-1,3-benzoxazol-5-amine
• CAS: 293737-83-4
• 化学式: C₁₃H₈Cl₂N₂O
• mdl: MFCD00579119
• 分子量: 279.125
• InChiKey: NWZLOHPLOVAJOM-UHFFFAOYSA-N

物化性质

• 沸点：
  422.5±40.0 °C(Predicted)
• 密度：
  1.461±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(2,4-dichlorophenyl)benzo[d]oxazol-5-amine 、 异丁酰氯 在 吡啶 作用下， 反应 18.0h， 以40%的产率得到N-(2-(2,4-dichlorophenyl)benzo[d]oxazol-5-yl)isobutyramide
  参考文献：
  名称：

  Discovery of 2-Arylbenzoxazoles as Upregulators of Utrophin Production for the Treatment of Duchenne Muscular Dystrophy

  摘要：

  A series of novel 2-arylbenzoxazoles that upregulate the production of utrophin in murine H2K cells, as assessed using a luciferase reporter linked assay, have been identified. This compound class appears to hold considerable promise as a potential treatment for Duchenne muscular dystrophy. Following the delineation of structure-activity relationships in the series, a number of potent upregulators were identified, and preliminary ADME evaluation is described. These studies have resulted in the identification of 1, a compound that has been progressed to clinical trials.

  DOI：

  10.1021/jm200135z
• 作为产物：
  描述：

  2,4-二氯苯甲酸 、 2,4-二氨基苯酚 在 polyphosphoric acid 作用下， 反应 16.0h， 以95%的产率得到2-(2,4-dichlorophenyl)benzo[d]oxazol-5-amine
  参考文献：
  名称：

  Discovery of 2-Arylbenzoxazoles as Upregulators of Utrophin Production for the Treatment of Duchenne Muscular Dystrophy

  摘要：

  A series of novel 2-arylbenzoxazoles that upregulate the production of utrophin in murine H2K cells, as assessed using a luciferase reporter linked assay, have been identified. This compound class appears to hold considerable promise as a potential treatment for Duchenne muscular dystrophy. Following the delineation of structure-activity relationships in the series, a number of potent upregulators were identified, and preliminary ADME evaluation is described. These studies have resulted in the identification of 1, a compound that has been progressed to clinical trials.

  DOI：

  10.1021/jm200135z