DESIGN, SYNTHESIS AND MOLECULAR MODELLING OF NEW THIAZOLIDINES 2,3-DISUBSTITUTED WITH ANTITUMORAL ACTIVITY.

作者：Cheptea C; Dulcescu M M; Dorohoi D O^*; Valeriu S; De**rieres J

来源：Digest Journal of Nanomaterials and Biostructures, 2012, 7(1): 287-297.

• Thiazolidine
• 5-nitroindazole
• Antitumoral agents
• IR and H-1 NMR spectra
• computed structural features by HyperChem

New thiazolidine 2,3 disubstituted derivatives of 1%26apos;-acetamidyl-5%26apos;-nitroindazole with antitumoral activity against the Walker Carcinosarcoma and Jensen Sarcoma were designed and synthesized. The structural features of new compounds have been established by chemical elemental and spectral ((HNMR)-H-1 and IR) analyses. The optimized molecular geometry, the length of the covalent bonds, the atomic charges and some electro-optical parameters influencing the bioactivity of the new compounds were established by using HyperChem 5.0 programs. The determined values of the 1,3-thiazolidines toxicity are in the limits of the laboratory screening. The new compounds prove inhibition activity when they were tested on experimental tumors, the most active being 4-oxo-1,3-thiazolidine (VI) with ortho-hydroxy-phenyl.

• 出版日期2012-3