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The title compound N-2-thiophenesulfonyl-α-L-phenylalanine ethyl ester has been synthesized. Complete assignments were achieved by IR, MS, 1H NMR and single-crystal X-ray diffraction analyses. Using MTT assay, the inhibitory rate of the title compound on K562 cells (chronic myeloid 1eukemic cells) was measured and the result of preliminary bioassay showed that the title compound possesses antiproliferation effects on K562 cells. In order to investigate the relationship between structure and activity of the target compound, we report its crystal structure and biological behavior in the present paper. Crystallographic data: C15H17NO4S2, Mr = 339.42, monoclinic, space group P21, flack = –0.15(12), a = 5.7916(10), b = 11.5078(19), c = 12.924(2) , β = 97.781(3)o, Z = 2, V = 853.4(2) 3, Dc = 1.321 g/cm3, F(000) = 356, –7≤h≤7, –10≤k≤14, –15≤l≤15, R = 0.0628, wR = 0.1540 and μ(MoKα) = 0.327 mm-1. The molecule comprises a benzene and a thiofuran rings, and the intramolecular N(1)–H(1A)…O(1) makes a five-membered ring of O(1)–C(6)–C(5)–N(1)–H(1A).
Complete assignments were achieved by IR, MS, 1H NMR and single-crystal X-ray analysis. Using MTT assay, the inhibitory rate of the title compound on K562 cells (chronic myeloid 1eukemic cells) was measured and the result of preliminary bioassay showed that the title compound possesses antiproliferation effects on K562 cells. In order to investigate the relationship between structure and activity of the target compound, we report its crystal Structure and Biological Behavior in the Present paper. Crystallographic data: C15H17NO4S2, Mr = 339.42, monoclinic, space group P21, flack = -0.15 (12), a = 5.7916 (10), b = 11.5078 (19), c = 12.924 Β = 97.781 (3) o, Z = 2, V = 853.4 (2) 3, Dc = 1.321 g / cm3, F (000) = 356, -7≤h≤7, -10≤k ≤14, -15≤l≤15, R = 0.0628, wR = 0.1540 and μ (MoKα) = 0.327 mm-1. The molecule comprises a benzene and a thiofuran rings, and the intr amolecular N (1) -H (1A) ... O (1) makes a five-membered ring of O (1) -C (6) -C (5) -N (1) -H (1A).