摘要
The title compound N＇-tert-butylaminocarbonyl-N-2-chlorophenoxyacetylthiourea has been synthesized for the first time. Complete assignments were achieved by IR, ^1H NHR and single-crystal X-ray diffraction analyses. The inhibitory rate of the cellular growth of K562 cells （chronic myeloid leukemic cells） was measured using MTT [3-（4,5-dimethylthiazo-2-yl）-2,5-diphenyltetra-zolium bromide] assay. The cell apoptosis was assessed by agarose gel electrophoresis to find that the title compound has antiproliferation and apoptosis inducing 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： C14H18^- CIN3O3S, Mr = 343.82, orthorhombic, space group Pnma, a = 19.786（6）, b = 6.789（2）, c = 12.938（4） A, V = 1738.0（9）A^3, Z = 4, Dc = 1.314 g/cm^3, F（000） = 720μ（MoKa） = 0.354 mm^-1, R = 0.0378 and wR = 0.0941. The molecule is a planar structure.
The title compound N＇-tert-butylaminocarbonyl-N-2-chlorophenoxyacetylthiourea has been synthesized for the first time. Complete assignments were achieved by IR, ^1H NHR and single-crystal X-ray diffraction analyses. The inhibitory rate of the cellular growth of K562 cells （chronic myeloid leukemic cells） was measured using MTT [3-（4,5-dimethylthiazo-2-yl）-2,5-diphenyltetra-zolium bromide] assay. The cell apoptosis was assessed by agarose gel electrophoresis to find that the title compound has antiproliferation and apoptosis inducing 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： C14H18^- CIN3O3S, Mr = 343.82, orthorhombic, space group Pnma, a = 19.786（6）, b = 6.789（2）, c = 12.938（4） A, V = 1738.0（9）A^3, Z = 4, Dc = 1.314 g/cm^3, F（000） = 720μ（MoKa） = 0.354 mm^-1, R = 0.0378 and wR = 0.0941. The molecule is a planar structure.
基金
This work was supported by the National Key Technologies R&D Programs of China (No. 2004BA308A22-8)
