3-(1H-吡咯并[2,3-b]吡啶-5-基)苯胺 | 611205-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-(1H-吡咯并[2,3-b]吡啶-5-基)苯胺
• 英文名称: 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
• 英文别名: Benzenamine, 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
• CAS: 611205-04-0
• 化学式: C₁₃H₁₁N₃
• 分子量: 209.25
• InChiKey: KTOWNYLGCMJVNU-UHFFFAOYSA-N

物化性质

• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 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：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1H-吡咯并[2,3-b]吡啶-5-基)苯胺 在 四(三苯基膦)钯 、 溴 、 四丁基硫酸氢铵 、 sodium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 乙二醇二甲醚 、 二氯甲烷 、 氯仿 、 水 为溶剂， 反应 1.25h， 生成 1-[3-[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  参考文献：
  名称：

  Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

  摘要：

  Potent inhibitors of RIP1 kinase from three distinct series, 1-aminoisoquinolines, pyrrolo[2,3-b]pyridines, and furo[2,3-d]pyrimidines, all of the type II class recognizing a DLG-out inactive conformation, were identified from screening of our in-house kinase focused sets. An exemplar from the furo[2,3-d]pyrimidine series showed a dose proportional response in protection from hypothermia in a mouse model of TNF alpha induced lethal shock.

  DOI：

  10.1021/ml400382p
• 作为产物：
  描述：

  3-氨基苯硼酸 、 5-溴-7-氮杂吲哚 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 3-(1H-吡咯并[2,3-b]吡啶-5-基)苯胺
  参考文献：
  名称：

  Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

  摘要：

  Potent inhibitors of RIP1 kinase from three distinct series, 1-aminoisoquinolines, pyrrolo[2,3-b]pyridines, and furo[2,3-d]pyrimidines, all of the type II class recognizing a DLG-out inactive conformation, were identified from screening of our in-house kinase focused sets. An exemplar from the furo[2,3-d]pyrimidine series showed a dose proportional response in protection from hypothermia in a mouse model of TNF alpha induced lethal shock.

  DOI：

  10.1021/ml400382p

文献信息

• PROTEIN KINASE INHIBITORS AND USE THEREOF
  申请人：Askew Benny C.

  公开号：US20110282056A1

  公开（公告）日：2011-11-17

  Disclosed are compounds according to Formula I: wherein the variables are described herein.

  根据以下公式I披露了化合物：其中变量如本文所述。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20160176865A1

  公开（公告）日：2016-06-23

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了在蛋白激酶上活性化合物，以及使用这些化合物治疗与蛋白激酶异常活动相关的疾病和状况的方法。
• 1H-Pyrrolo[2,3-B]Pyridnes
  申请人：Frazee James S.

  公开号：US20090233955A1

  公开（公告）日：2009-09-17

  Derivatives of pyrrolo[2,3-b]pyridine which are useful as SGK-1 kinase inhibitors are described herein. The invention described herein also describes pharmaceutical compositions containing derivatives of pyrrolo[2,3-b]pyridine and methods of using pyrrolo[2,3-b]pyridine derivatives and pharmaceutical compositions thereof in the treatment of diseases mediated by SGK-1.

  本文描述了用作SGK-1激酶抑制剂的吡咯并[2,3-b]吡啶衍生物。本发明还描述了含有吡咯并[2,3-b]吡啶衍生物的制药组合物以及使用吡咯并[2,3-b]吡啶衍生物和其制药组合物治疗由SGK-1介导的疾病的方法。
• Indole Derivatives
  申请人：Foote Kevin Michael

  公开号：US20090306126A1

  公开（公告）日：2009-12-10

  The invention concerns indole derivatives of Formula I or pharmaceutically-acceptable salts thereof, wherein each of Ring A, m, R 1 , R 2 , n, R 3 and G 1 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of disease mediated by a PI3K enzyme and/or a mTOR kinase.

  本发明涉及公式I的吲哚衍生物或其药学上可接受的盐，其中环A、m、R1、R2、n、R3和G1中的每一个具有本说明中定义的任何含义；其制备过程、包含它们的药物组合物以及它们在治疗中的用途，例如在通过PI3K酶和/或mTOR激酶介导的疾病的治疗中。
• 1H-Pyrrolo[2,3-B]Pyridines
  申请人：Frazee James S.

  公开号：US20120238588A1

  公开（公告）日：2012-09-20

  Derivatives of pyrrolo[2,3-b]pyridine which are useful as SGK-1 kinase inhibitors are described herein. The invention described herein also describes pharmaceutical compositions containing derivatives of pyrrolo[2,3-b]pyridine and methods of using pyrrolo[2,3-b]pyridine derivatives and pharmaceutical compositions thereof in the treatment of diseases mediated by SGK-1.

  本文描述了作为SGK-1激酶抑制剂有用的吡咯[2,3-b]吡啶衍生物。本发明还描述了含有吡咯[2,3-b]吡啶衍生物的制药组合物以及使用吡咯[2,3-b]吡啶衍生物和制药组合物治疗由SGK-1介导的疾病的方法。