Citation:
ZHAO Pei-Liang, HU Meng-Jin, DUAN An-Na, SUN Xiao-Min, YOU Wen-Wei. Synthesis, Crystal Structure and Antitumor Activity of 2-(3-Methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione[J]. Chinese Journal of Structural Chemistry,
2015, 34(3): 359-364.
doi:
10.14102/j.cnki.0254-5861.2011-0513
Synthesis, Crystal Structure and Antitumor Activity of 2-(3-Methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione
摘要:
The title compound 2-(3-methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione (C12H10N4O2S, Mr=274.30) has been synthesized by a three-step procedure including the cyclization, hydrazinolysis and substitution reactions, and its crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c with a=12.264(3), b=14.646(3), c=14.349(4)Å, β=91.69(3)°, μ=0.255 mm-1, Mr=274.30, V=2576.2(10)Å3, Z=8, Dc=1.414 g/cm3, F(000)=1136, R=0.0487 and wR=0.1329 for 4048 observed reflections with I>2σ(I). In addition, the preliminary bioassay suggested that the title compound 6 exhibits relatively good antitumor activity against HT-29 and MCF-7.
English
Synthesis, Crystal Structure and Antitumor Activity of 2-(3-Methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione
Abstract:
The title compound 2-(3-methyl-5-(methylthio)-4H-1,2,4-triazol-4-yl)isoindoline-1,3-dione (C12H10N4O2S, Mr=274.30) has been synthesized by a three-step procedure including the cyclization, hydrazinolysis and substitution reactions, and its crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c with a=12.264(3), b=14.646(3), c=14.349(4)Å, β=91.69(3)°, μ=0.255 mm-1, Mr=274.30, V=2576.2(10)Å3, Z=8, Dc=1.414 g/cm3, F(000)=1136, R=0.0487 and wR=0.1329 for 4048 observed reflections with I>2σ(I). In addition, the preliminary bioassay suggested that the title compound 6 exhibits relatively good antitumor activity against HT-29 and MCF-7.
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