2,3,5,6-tetrafluoro-4-(2',2',2'-trifluoroethoxy)benzaldehyde | 1314515-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,3,5,6-tetrafluoro-4-(2',2',2'-trifluoroethoxy)benzaldehyde
• 英文别名: 2,3,5,6-Tetrafluoro-4-(2'2'2'-trifluoroethoxy)benzaldehyde；2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethoxy)benzaldehyde
• CAS: 1314515-01-9
• 化学式: C₉H₃F₇O₂
• 分子量: 276.11
• InChiKey: ADQMXXWRLKEWCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,2,2-三氟乙醇 、 五氟苯甲醛 在 四丁基硫酸氢铵 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 2,3,5,6-tetrafluoro-4-(2',2',2'-trifluoroethoxy)benzaldehyde
  参考文献：
  名称：

  [EN] METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT
  [FR] MÉTHODES ET COMPOSITIONS POUR LE DÉVELOPPEMENT DE MÉDICAMENTS CIBLÉS

  摘要：

  公开号：

  WO2011085126A3

文献信息

• METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT
  申请人：Errico Joseph P.

  公开号：US20110301193A1

  公开（公告）日：2011-12-08

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.

  本文提供具有抗增殖作用的化合物。还提供一些化合物，可以调节由二聚化臂和域间系带组成的多域蛋白的活性，例如EGFR，其中未系带的延伸构象是活性状态，而系带的构象是非活性状态，导致自抑制构型。还提供了用于识别此类化合物的方法和药效团。其他方面提供了治疗增殖性疾病、疾病或病状的方法或治疗。例如与EGFR相关的疾病。
• COMPOSITIONS OF TARGETED DRUG DEVELOPMENT
  申请人：Errico Joseph P.

  公开号：US20140163069A1

  公开（公告）日：2014-06-12

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.

  本文提供具有抗增殖效应的化合物。还提供了可以调节多域蛋白质活性的化合物，包括具有二聚化臂和域间系索的EGFR，其中无系索的伸展构象是活性状态，而系索的构象是非活性状态，导致自抑制构型。还提供了用于识别此类化合物的方法和药效团。其他方面提供了治疗增殖性疾病、疾病或病情的方法或治疗。例如与EGFR相关的疾病。
• Methods of targeted drug development
  申请人：Errico Joseph P.

  公开号：US09073858B2

  公开（公告）日：2015-07-07

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.

  本文提供具有抗增殖效果的化合物。还提供了一些化合物，可以调节包括二聚化臂和互域系的多域蛋白的活性，例如EGFR，其中无系带的延伸构象是活性状态，而带系带的构象是非活性状态，导致自抑制配置。还提供了识别这种化合物的方法和药效团。其他方面提供了用于增殖性疾病，障碍或状况（例如与EGFR相关的疾病）的方法或治疗方法。
• METHODS OF TARGETED DRUG DEVELOPMENT
  申请人：Errico Joseph P.

  公开号：US20140194439A1

  公开（公告）日：2014-07-10

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.

  本文提供了具有抗增殖作用的化合物。还提供了可以调节包括二聚化臂和域间连接的多域蛋白活性的化合物，例如EGFR，其中未连接的扩展构象是活性状态，连接的构象是非活性状态，导致自抑制构型。还提供了用于识别此类化合物的方法和药效团。其他方面提供了用于增殖性疾病、疾病或病情的方法或治疗，例如与EGFR相关的疾病。
• Methods and compositions of targeted drug development
  申请人：Errico Joseph P.

  公开号：US08618302B2

  公开（公告）日：2013-12-31

  Provided herein are compounds having anti-proliferative effect. Also provided are compounds that can modulate the activity of multi-domain proteins comprising a dimerization arm and interdomain tether, such as EGFR, where an untethered, extended conformation is the active state and a tethered conformation is the inactive state, resulting in an autoinhibited configuration. Also provided are methods and pharmacophores for identifying such compounds. Other aspects provide methods or therapeutic treatment for proliferative diseases, disorders, or conditions, such as those associated with EGFR.

  所提供的化合物具有抗增殖效果。还提供了可以调节多域蛋白活性的化合物，包括具有二聚化臂和域间系带的EGFR，其中无系带、延伸的构象是活性状态，有系带的构象是非活性状态，形成自抑制的构型。还提供了用于识别此类化合物的方法和药效团。其他方面提供了用于治疗增殖性疾病、疾病或病状的方法或治疗。例如与EGFR相关的疾病。