The synthesis of new 4-imino-4H-chromeno[2,3-d]pyrimidin-3(5H)-amine in four steps including one step under microwave dielectric heating is reported. The structural identity of the synthesized compounds was establishe...The synthesis of new 4-imino-4H-chromeno[2,3-d]pyrimidin-3(5H)-amine in four steps including one step under microwave dielectric heating is reported. The structural identity of the synthesized compounds was established according to their spectroscopic analysis, such as FT-IR, NMR and mass spectroscopy. These new compounds were tested for their antiproliferative activities on seven representative human tumoral cell lines (Huh7 D12, Caco2, MDA-MB231, MDA-MB468, HCT116, PC3 and MCF7) and also on fibroblasts. Among them, only the compounds 6c showed micromolar cytotoxic activity on tumor cell lines (1.8 50 50 > 25 μM). Finally, in silico ADMET studies ware performed to investigate the possibility of using of the identified compound 6c as potential anti-tumor compound.展开更多
Both whisker and nanometer MgSO4·5Mg(OH)2·3H2O(MOS) were prepared by hydrothermal method at 140℃for different times, using NaOH and MgSO4·7H2O as raw materials. The MgSO4·5Mg(OH)2·3H2O part i...Both whisker and nanometer MgSO4·5Mg(OH)2·3H2O(MOS) were prepared by hydrothermal method at 140℃for different times, using NaOH and MgSO4·7H2O as raw materials. The MgSO4·5Mg(OH)2·3H2O part icles were characterized by powder X ray diffraction(XRD),thermal analysis(TGA DSC), infrared spectroscopy(FT IR),transmission electron microscopy(SEM) and scanning electron microscopy(TEM). The size distribution in whisker like and nanocrystalline materials arein the range of 10～50μm and 10～20nm respectively. The whisker MOS is metastable phase in MgSO4 NaOH H2O system at 140℃,whereas nanometer MOS is stable phase.展开更多
A new zinc hydrogen phosphite C4H8N2H4·Zn（HPO3）2 was prepared by hydrothermal method in the presence of piperazine as a structure-directing agent and the crystal structure was determined by single-crystal X-ray...A new zinc hydrogen phosphite C4H8N2H4·Zn（HPO3）2 was prepared by hydrothermal method in the presence of piperazine as a structure-directing agent and the crystal structure was determined by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, IR, ICP, elemental analysis and TG analysis. This compound has one-dimensional anionic chains containing four-membered rings built from corner-sharing linked alternating ZnO4 tetrahedra and HPO3 pseudo pyramids. The zinc hydrogen phosphite chains are interacted with the templates of diprotonated piperazine by N—H…O hydrogen bond. Crystal data for C4H8N2H4·Zn（HPO3）2∶monoclinic, space group C2/c. a=1.774 8（2） nm, b=0.724 28（9） nm, c=0.880 87（11） nm, β= 105.345（3）°, V=1.091 9（2） nm 3, Z=4, Dc=1^907 Mg/m 3, R1=0.022 9, wR2=0.058 8.展开更多
Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure ...Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.展开更多
A novel coordination polymer, [Fe(C 5H 4NCOO) 2] n, was synthesized by hydrothermal reaction and characterized by elemental analysis as well as IR spectroscopy. The crystal structure (with a novel 3-D network) of this...A novel coordination polymer, [Fe(C 5H 4NCOO) 2] n, was synthesized by hydrothermal reaction and characterized by elemental analysis as well as IR spectroscopy. The crystal structure (with a novel 3-D network) of this compound belongs to monoclinic, space group P2 1/n, a=0.49544(1) nm, b=1.32443(2) nm, c=1.04983(1) nm, β=101.586(1)°. The diffuse reflectance spectra (200～2500 nm) showed that the polymer had strong absorbance in 375～563 nm (E g≈2.5 eV) region and weak absorbance from 720 to 2500 nm (near infrared spectra).展开更多
PhCH2)3Sn·(O2CC5H4N)·(H2O)]n was synthesized by the reaction of 4-pyridine car-boxylic acid with the tribenzyltin o xide and was characterized by IR,1 H NMR and MS.Its crystal structure was determined by X-r...PhCH2)3Sn·(O2CC5H4N)·(H2O)]n was synthesized by the reaction of 4-pyridine car-boxylic acid with the tribenzyltin o xide and was characterized by IR,1 H NMR and MS.Its crystal structure was determined by X-ray single crystal diffraction.The crystal belongs to monoclinic.The space group P21 /c with unit cell parameters a=1.2241(8)nm,b=0.9660(6)nm,c=2.3708(15)nm,β=102.722(12)°,V=2.734(3)nm3,Z =4,Dc=1.298g·cm-3 .In crystal,the tin atom rendered five-coordinate in a trigo nal bipyramidal structure which is b ridged by 4-pyridine carboxy-late into one-dimensional chain polymers.展开更多
Nanocrystalline MgSO\-4·5Mg（OH）\-2·3H\-2O were prepared by the hydrothermal reaction at 140 ℃ for 24 h. Nanoparticle samples were characterized by FTIR, TG, DSC, XRD and TEM. The size distribution of nano...Nanocrystalline MgSO\-4·5Mg（OH）\-2·3H\-2O were prepared by the hydrothermal reaction at 140 ℃ for 24 h. Nanoparticle samples were characterized by FTIR, TG, DSC, XRD and TEM. The size distribution of nanocrystalline is in the range of 10\20 nm, the mean size is 16 nm.展开更多
Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure anal...Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure analyses. The crystal data are as follows: K 3[Gd Ⅲ(nta) 2·(H 2O)]·6H 2O, monoclinic system, C2/c space group, a=1.534 81(15) nm, b=1.292 05(12) nm, c=2.610 8(3) nm, β=96.244(2)°, V=5.146 7(9) nm 3, Z=8, M=776.87, D c=2.005 g/cm 3, μ= 3.149 mm -1 and \{F(000)=\}3 080, R=0.024 5, wR=0.064 3 for 4 455 unique reflections and R= 0.028 9, wR=0.067 2 for all 10 305 reflections. The Gd ⅢN 2O 7 part in the [Gd Ⅲ(nta) 2(H 2O)] 3- anion is a pseudo-monocapped square antiprismatic nine-coordination structure.(NH 4)[Gd Ⅲ(Cydta)(H 2O) 2]·5H 2O, triclinic system, P1 space group, a=0.866 2(3) nm, b=1.006 7(3) nm, c= 1.444 8(5) nm, α= 88.282(5)°, β=75\^190(5)°, γ=88.317(4)°, V=1.217 2(7) nm 3, Z=2, M=643.69, D c=1.756 g/cm 3, μ=2.798 mm -1 and F(000)=650, R=0.030 3, wR=0.080 9 for 4 273 unique reflections and R=0.033 2, wR=0.082 5 for all 5 062 reflections. The Gd ⅢN 2O 6 part in the [Gd Ⅲ(Cydta)(H 2O) 2] - anion has a pseudo-square antiprismatic eight-coordination structure.展开更多
文摘The synthesis of new 4-imino-4H-chromeno[2,3-d]pyrimidin-3(5H)-amine in four steps including one step under microwave dielectric heating is reported. The structural identity of the synthesized compounds was established according to their spectroscopic analysis, such as FT-IR, NMR and mass spectroscopy. These new compounds were tested for their antiproliferative activities on seven representative human tumoral cell lines (Huh7 D12, Caco2, MDA-MB231, MDA-MB468, HCT116, PC3 and MCF7) and also on fibroblasts. Among them, only the compounds 6c showed micromolar cytotoxic activity on tumor cell lines (1.8 50 50 > 25 μM). Finally, in silico ADMET studies ware performed to investigate the possibility of using of the identified compound 6c as potential anti-tumor compound.
文摘Both whisker and nanometer MgSO4·5Mg(OH)2·3H2O(MOS) were prepared by hydrothermal method at 140℃for different times, using NaOH and MgSO4·7H2O as raw materials. The MgSO4·5Mg(OH)2·3H2O part icles were characterized by powder X ray diffraction(XRD),thermal analysis(TGA DSC), infrared spectroscopy(FT IR),transmission electron microscopy(SEM) and scanning electron microscopy(TEM). The size distribution in whisker like and nanocrystalline materials arein the range of 10～50μm and 10～20nm respectively. The whisker MOS is metastable phase in MgSO4 NaOH H2O system at 140℃,whereas nanometer MOS is stable phase.
文摘A new zinc hydrogen phosphite C4H8N2H4·Zn（HPO3）2 was prepared by hydrothermal method in the presence of piperazine as a structure-directing agent and the crystal structure was determined by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, IR, ICP, elemental analysis and TG analysis. This compound has one-dimensional anionic chains containing four-membered rings built from corner-sharing linked alternating ZnO4 tetrahedra and HPO3 pseudo pyramids. The zinc hydrogen phosphite chains are interacted with the templates of diprotonated piperazine by N—H…O hydrogen bond. Crystal data for C4H8N2H4·Zn（HPO3）2∶monoclinic, space group C2/c. a=1.774 8（2） nm, b=0.724 28（9） nm, c=0.880 87（11） nm, β= 105.345（3）°, V=1.091 9（2） nm 3, Z=4, Dc=1^907 Mg/m 3, R1=0.022 9, wR2=0.058 8.
文摘Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.
文摘A novel coordination polymer, [Fe(C 5H 4NCOO) 2] n, was synthesized by hydrothermal reaction and characterized by elemental analysis as well as IR spectroscopy. The crystal structure (with a novel 3-D network) of this compound belongs to monoclinic, space group P2 1/n, a=0.49544(1) nm, b=1.32443(2) nm, c=1.04983(1) nm, β=101.586(1)°. The diffuse reflectance spectra (200～2500 nm) showed that the polymer had strong absorbance in 375～563 nm (E g≈2.5 eV) region and weak absorbance from 720 to 2500 nm (near infrared spectra).
文摘PhCH2)3Sn·(O2CC5H4N)·(H2O)]n was synthesized by the reaction of 4-pyridine car-boxylic acid with the tribenzyltin o xide and was characterized by IR,1 H NMR and MS.Its crystal structure was determined by X-ray single crystal diffraction.The crystal belongs to monoclinic.The space group P21 /c with unit cell parameters a=1.2241(8)nm,b=0.9660(6)nm,c=2.3708(15)nm,β=102.722(12)°,V=2.734(3)nm3,Z =4,Dc=1.298g·cm-3 .In crystal,the tin atom rendered five-coordinate in a trigo nal bipyramidal structure which is b ridged by 4-pyridine carboxy-late into one-dimensional chain polymers.
文摘Nanocrystalline MgSO\-4·5Mg（OH）\-2·3H\-2O were prepared by the hydrothermal reaction at 140 ℃ for 24 h. Nanoparticle samples were characterized by FTIR, TG, DSC, XRD and TEM. The size distribution of nanocrystalline is in the range of 10\20 nm, the mean size is 16 nm.
文摘Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure analyses. The crystal data are as follows: K 3[Gd Ⅲ(nta) 2·(H 2O)]·6H 2O, monoclinic system, C2/c space group, a=1.534 81(15) nm, b=1.292 05(12) nm, c=2.610 8(3) nm, β=96.244(2)°, V=5.146 7(9) nm 3, Z=8, M=776.87, D c=2.005 g/cm 3, μ= 3.149 mm -1 and \{F(000)=\}3 080, R=0.024 5, wR=0.064 3 for 4 455 unique reflections and R= 0.028 9, wR=0.067 2 for all 10 305 reflections. The Gd ⅢN 2O 7 part in the [Gd Ⅲ(nta) 2(H 2O)] 3- anion is a pseudo-monocapped square antiprismatic nine-coordination structure.(NH 4)[Gd Ⅲ(Cydta)(H 2O) 2]·5H 2O, triclinic system, P1 space group, a=0.866 2(3) nm, b=1.006 7(3) nm, c= 1.444 8(5) nm, α= 88.282(5)°, β=75\^190(5)°, γ=88.317(4)°, V=1.217 2(7) nm 3, Z=2, M=643.69, D c=1.756 g/cm 3, μ=2.798 mm -1 and F(000)=650, R=0.030 3, wR=0.080 9 for 4 273 unique reflections and R=0.033 2, wR=0.082 5 for all 5 062 reflections. The Gd ⅢN 2O 6 part in the [Gd Ⅲ(Cydta)(H 2O) 2] - anion has a pseudo-square antiprismatic eight-coordination structure.
