| 876747-66-9

• CAS: 876747-66-9
• 化学式: C₂₄H₂₀N₃O₃RuS₃*F₆P
• 分子量: 740.673
• InChiKey: XLXXENVMPFXAPM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 、 一氧化碳 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Rapid Access to Unexplored Chemical Space by Ligand Scanning around a Ruthenium Center:  Discovery of Potent and Selective Protein Kinase Inhibitors

  摘要：

  An important objective for the discovery of compounds with unique biological activities is the development of methods for the synthesis of molecular scaffolds with defined three-dimensional shapes. We are currently investigating the scope of using metal complexes to accomplish this goal. In these compounds, the metal center has the role of organizing the orientation of the organic ligands, thus defining the overall shape of the molecule. A strategy is presented that allows a rapid scanning of ligands around a ruthenium center in the search for ligand spheres that are complementary in shape and functional group presentation to ATP binding sites of protein kinases. Following this approach, we have identified octahedral ruthenium complexes as potent inhibitors for the protein kinases Pim1, MSK1, and GSK3 alpha.

  DOI：

  10.1021/ja055523r