4-(methyloxy)-2-(methylthio)-6-(4-pyridinyl)pyrimidine | 863328-29-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(methyloxy)-2-(methylthio)-6-(4-pyridinyl)pyrimidine
• 英文别名: 4-methoxy-2-methylsulfanyl-6-pyridin-4-ylpyrimidine
• CAS: 863328-29-4
• 化学式: C₁₁H₁₁N₃OS
• 分子量: 233.294
• InChiKey: AWTVTTZGDXFAQT-UHFFFAOYSA-N

物化性质

• 沸点：
  400.8±30.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(methyloxy)-2-(methylthio)-6-(4-pyridinyl)pyrimidine 在 Oxone 作用下， 以 乙二醇二甲醚 、 水 、 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Aminopyrimidinone Cdc7 Kinase Inhibitors

  摘要：

  We have investigated the SAR of a series of pyrimidinone-containing Cdc7 kinase inhibitors. A wide range of amine substitutions give potent compounds with activities (K-i) less than 1 nM. Kinase selectivity is reasonable and cytotoxicity corresponds to inhibition of MCM2 phosphorylation. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.041
• 作为产物：
  描述：

  4,6-二氯-二甲硫基嘧啶 在 四(三苯基膦)钯 、 sodium methylate 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(methyloxy)-2-(methylthio)-6-(4-pyridinyl)pyrimidine
  参考文献：
  名称：

  Aminopyrimidinone Cdc7 Kinase Inhibitors

  摘要：

  We have investigated the SAR of a series of pyrimidinone-containing Cdc7 kinase inhibitors. A wide range of amine substitutions give potent compounds with activities (K-i) less than 1 nM. Kinase selectivity is reasonable and cytotoxicity corresponds to inhibition of MCM2 phosphorylation. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.041

文献信息

• Solid- and solution-phase synthesis of heparin and other glycosaminoglycans
  申请人：——

  公开号：US20030013862A1

  公开（公告）日：2003-01-16

  Described is a modular, general synthetic strategy for the preparation in solution and on a solid support of heparin, heparin-like glycosaminoglycans, glycosaminoglycans and non-natural analogs of each of them. Additionally, the modular strategy provides the basis for the preparation of combinatorial libraries and parallel libraries of defined glycosaminoglycan oligosaccharides. The defined glycosaminoglycan structures may be used in high-throughput screening experiments to identify carbohydrate sequences that regulate a host of recognition and signal-transduction processes. The determination of specific sequences involved in receptor binding holds great promise for the development of molecular tools which will allow modulation of processes underlying viral entry, angiogenesis, kidney diseases and diseases of the central nervous system. Notably, the present invention enables the automated synthesis of glycosaminoglycans in much the same fashion that peptides and oligonucleotides are currently assembled.

  描述了一种模块化的通用合成策略，用于在溶液中和固体支撑上制备肝素、类肝素糖胺聚糖、糖胺聚糖以及它们的每一种非天然类似物。此外，该模块化策略为定义的糖胺聚糖寡糖的组合库和平行库的制备提供了基础。定义的糖胺聚糖结构可以用于高通量筛选实验，以识别调节多种识别和信号转导过程的碳水化合物序列。确定参与受体结合的特定序列对于开发分子工具具有巨大的前景，这些工具将允许调节病毒进入、血管生成、肾脏疾病和中枢神经系统疾病等过程。值得注意的是，本发明使得能够以目前组装肽和寡核苷酸的方式自动化合成糖胺聚糖。
• Pyrimidinone compounds useful as kinase inhibitors
  申请人：Hasegawa Masaichi

  公开号：US20070117818A1

  公开（公告）日：2007-05-24

  This invention relates to newly identified compounds for inhibiting hYAK3 proteins and methods for treating diseases associated with the imbalance or inappropriate activity of hYAK3 proteins.

  这项发明涉及新发现的化合物，用于抑制hYAK3蛋白，并用于治疗与hYAK3蛋白失衡或不当活性相关的疾病的方法。
• EP1353556A4
  申请人：——

  公开号：EP1353556A4

  公开（公告）日：2009-09-09
• SOLID- AND SOLUTION -PHASE SYNTHESIS OF HEPARIN AND OTHER GLYCOSAMINOGLYCANS
  申请人：MASSACHUSETTS INSTITUTE OF TECHNOLOGY

  公开号：EP1353556A2

  公开（公告）日：2003-10-22
• PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1713793A2

  公开（公告）日：2006-10-25