关键词: 嘧啶, 合成, 大肠杆菌甲硫酰胺肽酶, CXCR4, 构效关系

Abstract:

Five kinds of 4,6-diaryl-2-aminopyrimidine derivatives were synthesized and characterized by IR, MS and 1H NMR. The Escherichia coli methionine aminopeptidase(EcMetAP) inhibitactivities and the CXCR4 receptor antogonists activities of the five compounds were determined. The results show that all the five compounds have the EcMetAP inhibit-activities, and they also have CXCR4 receptor antogonists activities except the compound 2. The structure-activity relationships were studied by the FieldTemplater and FieldAlign software through molecular field analysis. The results show that the pharmacophore could be 3-N atom and 4,6-bencycles used as the EcMetAP inhibitor，and the EcMetAP inhibit-activities could be increased by addition of electron-donating groups at 6-benzyl. It also shows that the pharmacophore could be 2-C atom and 4,6-bencycles used as the CXCR4 receptor antogonists. The CXCR4 receptor antogonists could be increased by addition of electrondonating substituent at 2-C.

Key words: Pyrimidine, Synthesis, EcMetAP, CXCR4, Structure-Activity relationship