合成、表征了 5-(三氟甲基)尿嘧啶 (5TFMU) 和 6-(三氟甲基)尿嘧啶 (6TFMU) 异构体的新型银 (I) 配合物，并对其作为抗菌和抗增殖剂进行了评估。根据元素和热重分析，Ag-5TFMU 和 Ag-6TFMU 物质分别配制为 AgC5H2F3N2O2 和 Ag2C5HF3N2O2。红外和 13C 固态核磁共振光谱表明三氟甲基尿嘧啶异构体通过氮和氧原子与银配位。在缺乏合适质量的单晶的情况下，通过最先进的结构粉末衍射方法确认了它们的结构和连接性。在 Ag-5TFMU 中，有机配体是三齿的，并且发现了两种不同的金属配位环境（线性 AgN2 以及 C2v AgO4 几何结构），而 Ag-6TFMU 包含具有四齿双阴离子 6TFMU 部分和五个不同的 AgX2 的复杂聚合结构（X = N, O) 碎片，通过辅助（较长）Ag…O 接触进一步稳定。这些物种对革兰氏阳性和革兰氏阴性细菌菌株表现出适度的活性，而 Ag-6TFMU 对一组肿瘤细胞具有活性，对前列腺 (PC-3) 和肾细胞系的活性最佳，选择性指数为 4.6 和分别为1.3。另一方面，Ag-5TFMU 对除 MCF-7（乳腺癌）之外的所有考虑的肿瘤细胞均具有活性。 PC-3 细胞的活性最佳，但没有观察到选择性。 Ag-5TFMU 和 Ag-6TFMU 物种还减少了舌鳞状细胞癌细胞系 SCC - 4 和 SCC-15 的增殖。通过圆二色性进行的初步生物物理测定表明，Ag-5TFMU 复合物通过嵌入与 DNA 相互作用，这种效应在 Ag-6TFMU 中未见。版权所有 © 2024 Elsevier Inc. 保留所有权利。

New silver(I) complexes of 5-(trifluoromethyl)uracil (5TFMU) and 6-(trifluoromethyl)uracil (6TFMU) isomers were synthesized, characterized, and evaluated as antibacterial and antiproliferative agents. Based on elemental and thermogravimetric analyses, the Ag-5TFMU and Ag-6TFMU species are formulated as AgC5H2F3N2O2 and Ag2C5HF3N2O2, respectively. Infrared and 13C solid-state nuclear magnetic resonance spectroscopies suggest coordination of the trifluoromethyluracil isomers to silver by both nitrogen and oxygen atoms. Confirmation of their structure and connectivity was achieved, in the absence of single crystals of suitable quality, by state-of-the-art structural powder diffraction methods. In Ag-5TFMU, the organic ligand is tridentate and two distinct metal coordination environments are found (linear AgN2 as well as C2v AgO4 geometries), whereas Ag-6TFMU contains a complex polymeric structure with tetradentate dianionic 6TFMU moieties and five distinct AgX2 (X = N, O) fragments, further stabilized by ancillary (longer) Ag…O contacts. These species presented modest activity over Gram-positive and Gram-negative bacterial strains, whereas Ag-6TFMU was active over a set of tumor cells, with the best activity over prostate (PC-3) and kidney cell lines and selectivity indices of 4.6 and 1.3, respectively. On the other hand, Ag-5TFMU was active over all considered tumor cells except MCF-7 (breast cancer). The best activity was found for PC-3 cells, but no selectivity was observed. The Ag-5TFMU and Ag-6TFMU species also reduced the proliferation of tongue squamous cell carcinoma cell lines SCC - 4 and SCC-15. Preliminary biophysical assays by circular dichroism suggest that the Ag-5TFMU complex interacts with DNA by intercalation, an effect not seen in Ag-6TFMU.Copyright © 2024 Elsevier Inc. All rights reserved.