(3-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-chlorophenyl)(2,5-dichloropyridin-4-yl)methanone | 1082739-96-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-chlorophenyl)(2,5-dichloropyridin-4-yl)methanone
• CAS: 1082739-96-5
• 化学式: C₂₁H₂₆Cl₃NO₂Si
• 分子量: 458.887
• InChiKey: RRHMMXPJQVDYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.23
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-chlorophenyl)(2,5-dichloropyridin-4-yl)methanone 在 氢氧化钾 、 盐酸羟胺 作用下， 以 水 、 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors

  摘要：

  A series of 2-amino-isoxazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors. Key SAR and crystallographic data are discussed. More advanced analogues inhibit Plk1 with good enzymatic activity and modest cell-based activity. Differential selectivity among the three Plk isoforms is observed.

  DOI：

  10.1016/j.bmcl.2008.08.091
• 作为产物：
  描述：

  2,5-二氯异烟酸甲酯 、 (3-(3-bromo-5-chlorophenyl)propoxy)(tert-butyl)dimethylsilane 在 叔丁基锂 作用下， 以78%的产率得到(3-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-chlorophenyl)(2,5-dichloropyridin-4-yl)methanone
  参考文献：
  名称：

  Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors

  摘要：

  A series of 2-amino-isoxazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors. Key SAR and crystallographic data are discussed. More advanced analogues inhibit Plk1 with good enzymatic activity and modest cell-based activity. Differential selectivity among the three Plk isoforms is observed.

  DOI：

  10.1016/j.bmcl.2008.08.091