4-(4-Bromopyrazol-1-yl)-2-chloropyrimidine | 1247726-83-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-Bromopyrazol-1-yl)-2-chloropyrimidine
• CAS: 1247726-83-5
• 化学式: C₇H₄BrClN₄
• 分子量: 259.493
• InChiKey: JRIIDSMHQYTUKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 4-(4-Bromopyrazol-1-yl)-2-chloropyrimidine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR

  摘要：

  A pharmacophore mapping approach, derived from previous experience of PIKK family enzymes, was used to identify a hit series of selective inhibitors of the mammalian target of rapamycin (mTOR). Subsequent refinement of the SAR around this hit series based on a tri-substituted triazine scaffold has led to the discovery of potent and selective inhibitors of mTOR. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.069
• 作为产物：
  描述：

  4-溴吡唑 、 2,4-二氯嘧啶 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-Bromopyrazol-1-yl)-2-chloropyrimidine
  参考文献：
  名称：

  Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR

  摘要：

  A pharmacophore mapping approach, derived from previous experience of PIKK family enzymes, was used to identify a hit series of selective inhibitors of the mammalian target of rapamycin (mTOR). Subsequent refinement of the SAR around this hit series based on a tri-substituted triazine scaffold has led to the discovery of potent and selective inhibitors of mTOR. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.069

文献信息

• Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR
  作者：Keith A. Menear、Sylvie Gomez、Karine Malagu、Christine Bailey、Kristel Blackburn、Xiao-Ling Cockcroft、Sally Ewen、Alexandra Fundo、Armelle Le Gall、Gesine Hermann、Luisa Sebastian、Mihiro Sunose、Thomas Presnot、Eleanor Torode、Ian Hickson、Niall M.B. Martin、Graeme C.M. Smith、Kurt G. Pike

  DOI：10.1016/j.bmcl.2009.08.069

  日期：2009.10

  A pharmacophore mapping approach, derived from previous experience of PIKK family enzymes, was used to identify a hit series of selective inhibitors of the mammalian target of rapamycin (mTOR). Subsequent refinement of the SAR around this hit series based on a tri-substituted triazine scaffold has led to the discovery of potent and selective inhibitors of mTOR. (C) 2009 Elsevier Ltd. All rights reserved.