4-(2-phenyloxazol-4-yl)benzenamine | 1200404-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-phenyloxazol-4-yl)benzenamine
• 英文别名: 4-(2-phenyl-1,3-oxazol-4-yl)aniline
• CAS: 1200404-25-6
• 化学式: C₁₅H₁₂N₂O
• 分子量: 236.273
• InChiKey: QRLDOTWIJSVOTM-UHFFFAOYSA-N

物化性质

• 沸点：
  432.8±37.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 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

反应信息

• 作为反应物：
  描述：

  4-(2-phenyloxazol-4-yl)benzenamine 、 2,4-二氯苯甲酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以19%的产率得到2,4-dichloro-N-(4-(2-phenyloxazol-4-yl)phenyl)benzamide
  参考文献：
  名称：

  [EN] OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  [FR] COMPOSÉS OXAZOLES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2009151495A3
• 作为产物：
  描述：

  4-(4-硝基苯基)-2-苯基噁唑 在 溶剂黄146 、 锌 作用下， 生成 4-(2-phenyloxazol-4-yl)benzenamine
  参考文献：
  名称：

  Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit

  摘要：

  A bis-amide antagonist of Smoothened, a seven-transmembrane receptor in the Hedgehog signaling pathway, was discovered via high throughput screening. In vitro and in vivo experiments demonstrated that the bis-amide was susceptible to N-acyl transferase mediated amide scission. Several bioisosteric replacements of the labile amide that maintained in vitro potency were identified and shown to be metabolically stable in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.052

文献信息

• OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE
  申请人：Brown Matthew

  公开号：US20110060011A1

  公开（公告）日：2011-03-10

  The present invention relates generally to compounds represented in Formula (I), pharmaceutical compositions comprising them and methods of treating of diseases or disorders such as cancer.

  本发明涉及一般表示为公式(I)的化合物，包括它们的制药组合物和用于治疗癌症等疾病或障碍的方法。
• Oxazole compounds compositions and methods of use
  申请人：Brown Matthew

  公开号：US08404722B2

  公开（公告）日：2013-03-26

  The present invention relates generally to compounds represented in Formula (I), pharmaceutical compositions comprising them and methods of treating of diseases or disorders such as cancer.

  本发明涉及公式（I）所表示的化合物，包括它们的制药组合物以及治疗癌症等疾病或紊乱的方法。
• US8404722B2
  申请人：——

  公开号：US8404722B2

  公开（公告）日：2013-03-26
• [EN] OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS OXAZOLES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2009151495A3

  公开（公告）日：2010-08-26
• Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit
  作者：Matthew L. Brown、Wade Aaron、Richard J. Austin、Angela Chong、Tom Huang、Ben Jiang、Jacob A. Kaizerman、Gary Lee、Brian S. Lucas、Dustin L. McMinn、Jessica Orf、Minqing Rong、Maria M. Toteva、Guifen Xu、Qiuping Ye、Wendy Zhong、Michael R. DeGraffenreid、Dineli Wickramasinghe、Jay P. Powers、Randall Hungate、Michael G. Johnson

  DOI：10.1016/j.bmcl.2011.07.052

  日期：2011.9

  A bis-amide antagonist of Smoothened, a seven-transmembrane receptor in the Hedgehog signaling pathway, was discovered via high throughput screening. In vitro and in vivo experiments demonstrated that the bis-amide was susceptible to N-acyl transferase mediated amide scission. Several bioisosteric replacements of the labile amide that maintained in vitro potency were identified and shown to be metabolically stable in vitro and in vivo. (C) 2011 Elsevier Ltd. All rights reserved.