缩氨基硫脲是一类很有前景的具有抗肿瘤活性的化合物。在本研究中，合成了六种 2,4-二羟基-亚苄基-缩氨基硫脲化合物。这些化合物在计算机、体外和体内进行了不同的测定，以评估毒理学、抗氧化和抗肿瘤作用。 SwissADME 和 pkCSM 平台对计算机结果进行了评估，结果表明所有化合物均具有良好的口服生物利用度。体外和体内毒性试验表明，该化合物对不同的正常细胞表现出较低的细胞毒性，并且不会促进溶血作用。单剂量急性毒性试验（2000mg/kg）表明，所有化合物均对小鼠无毒性。在体外抗氧化活性测定中，这些化合物显示出中度至低度的活性，其中 PB17 在 ABTS 自由基捕获测定中表现突出。体内抗氧化活性突出显示化合物1、6和8促进肝脏抗氧化酶浓度显着增加。最后，所有化合物都对不同细胞系（尤其是 MCF-7 和 DU145 系）表现出良好的抗肿瘤活性，此外，它们在低于 50 mg/kg 的浓度下抑制肉瘤 180 的生长。这些结果表明所评估的化合物可被视为潜在的抗肿瘤剂。

Thiosemicarbazones are promising classes of compounds with antitumor activity. For this study, six 2,4-dihydroxy-benzylidene-thiosemicarbazones compounds were synthesized. These compounds were submitted to different assays in silico, in vitro and in vivo to evaluate the toxicological, antioxidant and antitumor effects. The in silico results were evaluated by the SwissADME and pkCSM platforms and showed that all compounds had good oral bioavailability profiles. The in vitro and in vivo toxicity assays showed that the compounds showed low cytotoxicity against different normal cells and did not promote hemolytic effects. The single dose acute toxicity test (2000 mg/kg) showed that none of the compounds were toxic to mice. In in vitro antioxidant activity assays, the compounds showed moderate to low activity, with PB17 standing out for the ABTS radical capture assay. The in vivo antioxidant activity highlighted the compounds 1, 6 and 8 that promoted a significant increase in the concentration of liver antioxidant enzymes. Finally, all compounds showed promising antitumor activity against different cell lines, especially MCF-7 and DU145 lines, in addition, they inhibited the growth of sarcoma 180 at concentrations lower than 50 mg/kg. These results showed that the evaluated compounds can be considered as potential antitumor agents.