The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group...The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group P212121 with a = 16.846(3), b = 18.844(4), c = 11.262(2)A, Z =4, V = 3575.1(13) A^3, Mr = 666.67, Dc = 1.239 Mg/m^3, S = 1.002, μ = 1.190 mm^-1, F(000) = 1408,the final R = 0.0831 and wR = 0.1459 for 2286 observed reflections(I 〉 2σ(I)). The crystal structure is stabilized by two intermolecular hydrogen bonds(N–H(0A)···O(2) and O(1)–H(1A)···O(3)). In the preliminary antitumor assay, the title compound 6 exhibits potent cytotoxic activity against Hep G2 and SMMC-7721 cells with IC50 values of 1.64 ± 0.21 and 1.22 ± 0.13 μM, respectively.展开更多
基金Project supported by the Natural Science Foundation of Jiangsu Province(BK20151516)the Open Fundation from Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals
文摘The title compound(C(37)H(48)BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group P212121 with a = 16.846(3), b = 18.844(4), c = 11.262(2)A, Z =4, V = 3575.1(13) A^3, Mr = 666.67, Dc = 1.239 Mg/m^3, S = 1.002, μ = 1.190 mm^-1, F(000) = 1408,the final R = 0.0831 and wR = 0.1459 for 2286 observed reflections(I 〉 2σ(I)). The crystal structure is stabilized by two intermolecular hydrogen bonds(N–H(0A)···O(2) and O(1)–H(1A)···O(3)). In the preliminary antitumor assay, the title compound 6 exhibits potent cytotoxic activity against Hep G2 and SMMC-7721 cells with IC50 values of 1.64 ± 0.21 and 1.22 ± 0.13 μM, respectively.