NSC 84093 | 117091-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: NSC 84093
• 英文别名: 7-(phenyl-p-tolylaminomethyl)quinolin-8-ol；NSC84093；7-(α-p-toluidino-benzyl)-quinolin-8-ol；7-(α-p-Toluidino-benzyl)-chinolin-8-ol；7-(Phenyl(4-toluidino)methyl)-8-quinolinol；7-[(4-methylanilino)-phenylmethyl]quinolin-8-ol
• CAS: 117091-26-6
• 化学式: C₂₃H₂₀N₂O
• 分子量: 340.425
• InChiKey: HUMXPASVXGPBQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  535.5±45.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-羟基喹啉 、 苯甲醛 、 乙烷,三氯氟- 生成 NSC 84093
  参考文献：
  名称：

  The Reaction of Aldehydes and Aromatic Amines with 8-Quinolinol

  摘要：

  DOI：

  10.1021/ja01113a048

文献信息

• Novel Quinoline-Hepcidine Antagonists
  申请人：Dürrenberger Franz

  公开号：US20120196853A1

  公开（公告）日：2012-08-02

  The present invention relates to novel hepcidin antagonists of the general formula (I), pharmaceutical compositions comprising them and the use thereof as medicaments, in particular for treatment of disorders in iron metabolism, such as, in particular, iron deficiency diseases and anaemias, in particular anaemias in connection with chronic inflammatory diseases (ACD: anaemia of chronic disease and AI: anaemia of inflammation).

  本发明涉及一种新型的肝铁蛋白拮抗剂，其一般式为(I)，包括它们的药物组合物以及将其用作药物的用途，特别是用于治疗铁代谢紊乱的疾病，如特别是铁缺乏病和贫血，特别是与慢性炎症性疾病相关的贫血（ACD：慢性疾病贫血和AI：炎症性贫血）。
• 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：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。
• Small molecule inhibitors of botulinum neurotoxins
  申请人：Roxas-Duncan Virginia I.

  公开号：US10301265B2

  公开（公告）日：2019-05-28

  The invention provides potent quinolinol-based BoNT/A small-molecule inhibitors of botulinum neurotoxins, in particular of Clostridium botulinum serotype A neurotoxins. The invention also provides methods of using these small-molecule inhibitors to inhibit infections by Clostridium botulinum, as well as, methods of preventing infections by Clostridium botulinum through materials that may be ingested.

  本发明提供了肉毒杆菌神经毒素，特别是肉毒杆菌血清型A神经毒素的强效喹啉醇基BoNT/A小分子抑制剂。本发明还提供了使用这些小分子抑制剂抑制肉毒梭菌感染的方法，以及通过可能摄入的材料预防肉毒梭菌感染的方法。