1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone | 1224702-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
• 英文别名: 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
• CAS: 1224702-86-6
• 化学式: C₂₄H₂₄ClN₇O₂
• 分子量: 477.953
• InChiKey: ZNLCRBCFRLCIFE-UHFFFAOYSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone 在 水 、 sodium hydroxide 、 氯化铵 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 以100%的产率得到5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperazin-1-yl-phenyl)pyrimidin-2-amine
  参考文献：
  名称：

  NOVEL COMPOUNDS 515

  摘要：

  提供了化学式（I）的新型嘧啶衍生物或其药用盐，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的应用。

  公开号：

  US20100105655A1
• 作为产物：
  描述：

  4-(2-butoxyvinyl)-2,5-dichloropyrimidine 在 N-溴代丁二酰亚胺(NBS) 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 2-戊醇 、 水 为溶剂， 生成 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
  参考文献：
  名称：

  Novel imidazo[1,2-a]pyridine based inhibitors of the IGF-1 receptor tyrosine kinase: Optimization of the aniline

  摘要：

  Following the discovery of imidazopyridine 1 as a potent IGF-1R tyrosine kinase inhibitor, the aniline part has been modified with the aim to optimize the properties of this series. The structure-activity relationships against IGF-1R kinase activity as well as inhibition of the hERG ion channel are discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.090

文献信息

• [EN] PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS<br/>[FR] PYRAZOLO ET IMIDAZO-PYRIDINYL-PYRIMIDINAMINES UTILISÉS COMME INHIBITEURS DE LA TYROSINE KINASE IGF-1R
  申请人：ASTRAZENECA AB

  公开号：WO2010049731A1

  公开（公告）日：2010-05-06

  There is provided novel pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.
• NOVEL COMPOUNDS 515
  申请人：Ducray Richard

  公开号：US20100105655A1

  公开（公告）日：2010-04-29

  There is provided novel pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  提供了化学式（I）的新型嘧啶衍生物或其药用盐，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的应用。
• Novel imidazo[1,2-a]pyridine based inhibitors of the IGF-1 receptor tyrosine kinase: Optimization of the aniline
  作者：Richard Ducray、Clifford D. Jones、Frederic H. Jung、Iain Simpson、Jon Curwen、Martin Pass

  DOI：10.1016/j.bmcl.2011.06.090

  日期：2011.8

  Following the discovery of imidazopyridine 1 as a potent IGF-1R tyrosine kinase inhibitor, the aniline part has been modified with the aim to optimize the properties of this series. The structure-activity relationships against IGF-1R kinase activity as well as inhibition of the hERG ion channel are discussed. (C) 2011 Elsevier Ltd. All rights reserved.