He, Jie; Li, Dongdong; Xiong, Kun; Ge, Yongjie; Jin, Hongwei; Zhang, Guozhou; Hong, Mengshi; Tian, Yongliang; Yin, Jin; Zeng, Huihui published the artcile< Inhibition of thioredoxin reductase by a novel series of bis-1,2-benzisoselenazol-3(2H)-ones: Organoselenium compounds for cancer therapy>, Category: isoxazole, the main research area is anticancer thioredoxin reductase inhibitor benzisoselenazolone preparation SAR.
Thioredoxin reductase (TrxR) is critical for cellular redox regulation and is involved in tumor proliferation, apoptosis and metastasis. Its C-terminal redox-active center contains a cysteine (Cys497) and a unique selenocysteine (Sec498), which are exposed to solvent and easily accessible. Thus, it is becoming an important target for anticancer drugs. Selective inhibition of TrxR by 1,2-(bis-1,2-benzisoselenazol-3(2H)-one)ethane (4a) prevents proliferation of several cancer cell lines both in vivo and in vitro. Using the structure of 4a as a starting point, a series of novel bis-1,2-benzisoselenazol-3(2H)-ones was designed, prepared and tested to explore the structure-activity relationships (SARs) for this class of inhibitor and to improve their potency. Notably, 1,2-(5,5′-dimethoxybis(1,2-benzisoselenazol-3(2H)-one))ethane (12) was found to be more potent than 4a in both in vitro and in vivo evaluation. Its binding sites were confirmed by biotin-conjugated iodoacetamide assay and a SAR model was generated to guide further structural modification.
Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 21725-69-9 belongs to class isoxazole, and the molecular formula is C7H5NO2, Category: isoxazole.
Referemce:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem