2-(2,3-二氯苯基)-1,3-苯并恶唑-5-胺 | 339197-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(2,3-二氯苯基)-1,3-苯并恶唑-5-胺
• 英文名称: 2-(2,3-dichlorophenyl)benzo[d]oxazol-5-amine
• 英文别名: 2-(2,3-Dichlorophenyl)-1,3-benzoxazol-5-amine
• CAS: 339197-79-4
• 化学式: C₁₃H₈Cl₂N₂O
• mdl: MFCD00579118
• 分子量: 279.125
• InChiKey: FLMZDROZUFDZHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  436.5±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-(2,3-二氯苯基)-1,3-苯并恶唑-5-胺 、 异丁酰氯 在 吡啶 作用下， 反应 18.0h， 以5%的产率得到N-(2-(2,3-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：

  2,3-二氯苯甲酸 、 2,4-二氨基苯酚 在 polyphosphoric acid 作用下， 反应 16.0h， 以83%的产率得到2-(2,3-二氯苯基)-1,3-苯并恶唑-5-胺
  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

文献信息

• [EN] TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY<br/>[FR] TRAITEMENT DE LA DYSTROPHIE MUSCULAIRE DE DUCHENNE
  申请人：SUMMIT CORP PLC

  公开号：WO2009021750A2

  公开（公告）日：2009-02-19

  There are disclosed compounds of Formula (1). Pharmaceutical compositions containing the compounds are also provided. Methods of treatment of Duchenne muscular dystrophy, Becker muscular dystrophy and cachexia using the compounds and compositions are also provided.
• [EN] COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA DYSTROPHIE MUSCULAIRE DE DUCHENNE
  申请人：BIOMARIN IGA LTD

  公开号：WO2010112091A1

  公开（公告）日：2010-10-07

  Compounds of formula (I) wherein R1, R2, R3, X, and Y are as defined herein, are useful for the treatment or prophylaxis of conditions such as Duchenne muscular dystrophy, Becker muscular dystrophy, and cachexia.