Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR...Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR and IR.Among them,the crystal structures of compounds 1 and 3 were also determined by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a=0.66725(4),b=1.04750(7),c=1.61138(10)nm,β=93.884(2)o,V=1.12368(12)nm3,Z=4,Dc=1.314 g/cm3,μ=0.085 mm-1,F(000)=464,R=0.0731 and wR=0.2412.Compound 3 crystallizes in monoclinic system,P21/c space group with a=0.6585(7),b=1.3840(7),c=2.5364(6)nm,β=103.4220(4)o,V=2.249(3)nm3,Z=8,Dc=1.313 g/cm3,μ=0.085 mm-1,F(000)=928,R=0.0584 and wR=0.1151.The three compounds were screened for their antitumor activities against the human cancer HepG2 cells in vitro by MTT assay.All compounds could inhibit the proliferation of HepG2 cells,whose IC50 values are 87.7,9.6 and 33.5μmol/L for compounds 1,2 and 3,respectively.Most noticeably of all,the inhibition rate of complex 2 was up to 85%at 100μmol/L.展开更多
基金Supported by the National Key R&D Program of China(2016YFD0600804)Natural Scientific Foundation of Jiangsu Province(No.BK20160922)+2 种基金National Natural Scientific Foundation of China(No.21606133)the Open Fund of Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals(JSBGFC12002)SPITP(201710298006Z)
文摘Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR and IR.Among them,the crystal structures of compounds 1 and 3 were also determined by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a=0.66725(4),b=1.04750(7),c=1.61138(10)nm,β=93.884(2)o,V=1.12368(12)nm3,Z=4,Dc=1.314 g/cm3,μ=0.085 mm-1,F(000)=464,R=0.0731 and wR=0.2412.Compound 3 crystallizes in monoclinic system,P21/c space group with a=0.6585(7),b=1.3840(7),c=2.5364(6)nm,β=103.4220(4)o,V=2.249(3)nm3,Z=8,Dc=1.313 g/cm3,μ=0.085 mm-1,F(000)=928,R=0.0584 and wR=0.1151.The three compounds were screened for their antitumor activities against the human cancer HepG2 cells in vitro by MTT assay.All compounds could inhibit the proliferation of HepG2 cells,whose IC50 values are 87.7,9.6 and 33.5μmol/L for compounds 1,2 and 3,respectively.Most noticeably of all,the inhibition rate of complex 2 was up to 85%at 100μmol/L.
