N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine | 879610-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
• CAS: 879610-07-8
• 化学式: C₁₉H₂₂N₄O
• 分子量: 322.41
• InChiKey: FPWUAYWXGLSBMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  51.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 异氰环已烷 、 4-甲氧基苯甲醛 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以67%的产率得到N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
  参考文献：
  名称：

  Combinatorial Discovery of Fluorescent Pharmacophores by Multicomponent Reactions in Droplet Arrays

  摘要：

  Fluorescence imaging in clinical diagnostics and biomedical research relies to a great extent on the use of small organic fluorescent probes. Because of the difficulty of combining fluorescent and molecular-recognition properties, the development of such probes has been severely restricted to a number of well-known fluorescent scaffolds. Here we demonstrate that autofluorescing druglike molecules are a valuable source of bioimaging probes. Combinatorial synthesis and screening of chemical libraries in droplet microarrays allowed the identification of new types of fluorophores. Their concise and clean assembly by a multicomponent reaction presents a unique potential for the one-step synthesis of thousands of structurally diverse fluorescent molecules. Because they are based upon a druglike scaffold, these fluorophores retain their molecular recognition potential and can be used to design specific imaging probes.

  DOI：

  10.1021/ja204016e