中文摘要：

基于S-DABO类非核苷类逆转录酶抑制剂（NNRTIs）的构效关系,设计合成了6个新型的2-[（取代苯胺基）羰基甲硫基]-6-环己甲基-3H-嘧啶-4-酮类化合物,并采用MT-4细胞进行了体外抗HIV活性测试.结果表明大多数新化合物表现了明显的抗HIV-1活性（EC50=2.58～0.18μmol/L）,其中化合物4b活性最高（EC50=1.64μmol/L,CC50=296.8μmol/L,SI=203.6）优于临床上使用的抗HIV药物奈韦拉平.最后对该类化合物的构效关系进行了讨论.

英文摘要：

Molecular modeling analysis of 2-alkylsulfanyl-6-benzyl-3,4-dihydro-pyrimidin-4（3H）-one（S-DABOs） type non-nucleoside reverse transcriptase inhibitors（NNRTIs） gave support to the design of new oxophenethyl-S-DACOs derivatives as highly potent and specific NNRTIs.To follow up on the novel S-DACO derivatives,a series of novel 2-（phenylaminocarbonylmethylthio）-6-cyclohexylmethyl-pyrimidin-4（3H）-ones have been designed and synthesized in this paper.All of the new compounds were evaluated tested for their cytotoxicitities and anti-HIV-1 activities in MT-4 cells infected by the HIV-1ⅢB,and compared with NVP as reference drug.The results indicated that most of these new compounds showed moderate to potent activities against wild-type HIV-1with an EC50 ranging from 2.58 μmol/L to 0.18 μmol/L.Among them,4b was identified as the most promising compound with an EC50 value of 1.64 μmol/L,and a CC50 value of 296.8 μmol/L.The SI value was greater than 203.6,which is much better than that for the reference drugs of NVP.The structure-activity relationships（SAR） of the newly synthesized compounds are presented.