Ducho Christian, Görbig Ulf, Jessel Sönke, Gisch Nicolas, Balzarini Jan, Meier Chris
Department of Chemistry, Organic Chemistry, Faculty of Science, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg, Germany.
J Med Chem. 2007 Mar 22;50(6):1335-46. doi: 10.1021/jm0611713. Epub 2007 Mar 1.
Bis-cycloSal-d4T-monophosphates have been synthesized as potentially anti-HIV active "dimeric" prodrugs of 2',3'-dideoxy-2',3'-didehydrothymidine monophosphate (d4TMP). These pronucleotides display a mask-drug ratio of 1:2, a novelty in the field of pronucleotides. Both bis-cycloSal-d4TMP 6 and bis-5-methyl-cycloSal-d4TMP 7 showed increased hydrolytic stability as compared to their "monomeric" counterparts and a completely selective hydrolytic release of d4TMP. The hydrolysis pathway was investigated via 31P NMR spectroscopy. Moreover, due to the steric bulkiness, compound 6 already displayed strongly reduced inhibitor potency toward human butyrylcholinesterase (BChE), while compound 7 turned out to be devoid of any inhibitory activity against BChE. Partial separation of the diastereomeric mixture of 6 revealed strong dependence of the pronucleotides' properties on the stereochemistry at the phosphorus centers. Both 6 and 7 showed good activity against HIV-1 and HIV-2 in wild-type CEM cells in vitro. These compounds were significantly more potent than the parent nucleoside d4T 1 in HIV-2-infected TK-deficient CEM cells, indicating an efficient TK-bypass.
双环水杨酸 - d4T - 单磷酸酯已被合成为2',3'-二脱氧-2',3'-二脱氢胸苷单磷酸酯(d4TMP)具有潜在抗HIV活性的“二聚体”前药。这些前核苷酸的掩蔽 - 药物比率为1:2,这在该前核苷酸领域是新颖的。与它们的“单体”对应物相比,双环水杨酸 - d4TMP 6和双 - 5 - 甲基 - 环水杨酸 - d4TMP 7均表现出更高的水解稳定性以及d4TMP的完全选择性水解释放。通过31P核磁共振光谱研究了水解途径。此外,由于空间位阻,化合物6对人丁酰胆碱酯酶(BChE)的抑制活性已大幅降低,而化合物7对BChE则没有任何抑制活性。6的非对映体混合物的部分分离表明前核苷酸的性质强烈依赖于磷中心的立体化学。6和7在体外野生型CEM细胞中对HIV - 1和HIV - 2均表现出良好的活性。在感染HIV - 2的TK缺陷型CEM细胞中,这些化合物比母体核苷d4T 1的活性显著更高,表明其具有有效的胸苷激酶(TK)旁路作用。