(5-溴-1H-吡咯并[2,3-b]吡啶-3-基)-(3-甲氧基苯基)甲酮 | 858116-70-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (5-溴-1H-吡咯并[2,3-b]吡啶-3-基)-(3-甲氧基苯基)甲酮
• 英文名称: (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-methoxyphenyl)methanone
• 英文别名: Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-methoxyphenyl)-；(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone
• CAS: 858116-70-8
• 化学式: C₁₅H₁₁BrN₂O₂
• 分子量: 331.169
• InChiKey: OKQFAXUYZWQTBT-UHFFFAOYSA-N

物化性质

• 密度：
  1.551±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间甲氧基苯甲酰氯 、 5-溴-7-氮杂吲哚 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (5-溴-1H-吡咯并[2,3-b]吡啶-3-基)-(3-甲氧基苯基)甲酮
  参考文献：
  名称：

  Compounds and methods for development of Ret modulators

  摘要：

  描述了对Ret具有活性的化合物，以及使用这些化合物的方法。还描述了通过X射线晶体学确定的Ret替代物的晶体结构。例如，使用这些Ret替代物晶体和结构信息可以用于识别分子支架，开发与Ret结合并调节其活性的配体，以及基于已知配体识别改进的配体。

  公开号：

  US20070049615A1

文献信息

• Compounds and methods for development of Ret modulators
  申请人：Ibrahim Prabha

  公开号：US20070049615A1

  公开（公告）日：2007-03-01

  Compounds active on Ret are described, as well as methods of using such compounds. Also described are crystal structures of Ret surrogates that were determined using X-ray crystallography. The use of such Ret surrogate crystals and strucural information can, for example, be used for identifying molecular scaffolds and for developing ligands that bind to and modulate Ret and for identifying improved ligands based on known ligands.

  描述了对Ret具有活性的化合物，以及使用这些化合物的方法。还描述了通过X射线晶体学确定的Ret替代物的晶体结构。例如，使用这些Ret替代物晶体和结构信息可以用于识别分子支架，开发与Ret结合并调节其活性的配体，以及基于已知配体识别改进的配体。
• 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。
• Compounds and methods for development of RET modulators
  申请人：Ibrahim Prabha

  公开号：US20070066641A1

  公开（公告）日：2007-03-22

  Compounds active on Ret and/or FGFR are described, as well as methods of using such compounds. Also described are crystal structures of Ret surrogates that were determined using X-ray crystallography. The use of such Ret surrogate crystals and structural information can, for example, be used for identifying molecular scaffolds and for developing ligands that bind to and modulate Ret and for identifying improved ligands based on known ligands.

  本文描述了在Ret和/或FGFR上活性化合物，以及使用这些化合物的方法。还描述了使用X射线晶体学确定的Ret代用品的晶体结构。例如，可以利用这些Ret代用品晶体和结构信息来识别分子支架并开发结合和调节Ret的配体，以及基于已知配体识别改进的配体。
• Compounds and methods for development of Ret Modulators
  申请人：Ibrahim Prabha

  公开号：US20100324065A1

  公开（公告）日：2010-12-23

  Compounds active on Ret are described, as well as methods of using such compounds. Also described are crystal structures of Ret surrogates that were determined using X-ray crystallography. The use of such Ret surrogate crystals and structural information can, for example, be used for identifying molecular scaffolds and for developing ligands that bind to and modulate Ret and for identifying improved ligands based on known ligands.

  本文描述了对Ret活性有影响的化合物，以及使用这些化合物的方法。还描述了使用X射线晶体学确定的Ret代用物的晶体结构。使用这种Ret代用物晶体和结构信息，例如可以用于识别分子支架并开发与调节Ret结合的配体，并根据已知配体识别改进的配体。
• NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS
  申请人：Joint Stock Company "Biocad"

  公开号：EP3666770A1

  公开（公告）日：2020-06-17

  The present invention relates to novel compounds of formula (I): or a pharmaceutically acceptable salt or stereoisomer thereof, which exhibit the properties of a CDK 8/19 inhibitor. The invention also relates to a pharmaceutical composition containing said compounds and to the use thereof as pharmaceutical drugs for treating diseases or disorders.

  本发明涉及式 (I) 的新型化合物： 或其药学上可接受的盐或立体异构体，它们具有 CDK 8/19 抑制剂的特性。本发明还涉及含有上述化合物的药物组合物，以及将其用作治疗疾病或失调的药物。