| 1194820-33-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1194820-33-1
• 化学式: C₁₁H₁₁BrN₄OS
• 分子量: 327.205
• InChiKey: ZKSBCZMHLWUTIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.14
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-hydroxy-3,5-dimethoxyphenylboronic acid 、 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 2,6-Dimethoxy-4-(4-(2-morpholinopyrimidin-4-yl)thiazol-2-yl)phenol
  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：

  吗啉 、 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