The title compound N-2-thiophenesulfonyl-a-L-phenylalanine ethyl ester has been synthesized. Complete assignments were achieved by IR, MS, ^1H NMR and single-crystal X-ray diffraction analyses. Using MTT assay, the in...The title compound N-2-thiophenesulfonyl-a-L-phenylalanine ethyl ester has been synthesized. Complete assignments were achieved by IR, MS, ^1H NMR and single-crystal X-ray diffraction analyses. Using MTT assay, the inhibitory rate of the title compound on K562 cells （chronic myeloid leukemic cells） was measured and the result of preliminary bioassay showed that the title compound possesses antiproliferation 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： C15H17NO4S2, Mr = 339.42, monoclinic, space group P21, flack = -0.15（12）, a = 5.7916（10）, b = 11.5078（19）, c = 12.924（2） A, β = 97.781（3）°, Z = 2, V = 853.4（2） A^3, De = 1.321 g/cm^3, F（000） = 356, -7≤h≤7, -10≤k≤14, -15 ≤ l≤15, R = 0.0628, wR = 0.1540 and μ（MoKa） = 0.327 mm^-1. The molecule comprises a benzene and a thiofuran rings, and the intramolecular N（1）-H（1A）…O（1） makes a five-membered ring of O（1）--C（6）-C（5）--N（1）--H（1A）.展开更多
A new Zn（Ⅱ） complex, [Zn（L）2（phen）（H2O）]（1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline） has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction a...A new Zn（Ⅱ） complex, [Zn（L）2（phen）（H2O）]（1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline） has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction analysis. The Zn（Ⅱ） complex belongs to monoclinic, space group P21 with a = 12.6749（13）, b = 5.5965（6）, c = 22.985（2） A, β = 104.296（2）°, V = 1580.0（3） A^3, Z = 2, Mr = 676.02, Dc = 1.421 μg·m^（-3）, μ = 0.833 mm^-1, F（000） = 704, and the final R = 0.0460, wR = 0.0899 for 4422 observed reflections with I 〉 2σ（I）. The molecules form a 1D chained structure by hydrogen bonds. The antitumor activities of Zn（Ⅱ） complex against human hepatoma SMMC-7721 cells, human lung adenocarcinoma A549 cells and human colon carcinoma WiDr cells have also been investigated.展开更多
The title compound, ethyl ester N-(iso-propylcarbamoylmethoxyphosphonyl)-(1)-α-phenylalanine(C_16H_25N_2O_5P), was synthesized by a series of reactions, and its crystal structure was determined by single crystal X-ra...The title compound, ethyl ester N-(iso-propylcarbamoylmethoxyphosphonyl)-(1)-α-phenylalanine(C_16H_25N_2O_5P), was synthesized by a series of reactions, and its crystal structure was determined by single crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P2_1, with a=5. 256(1), b=15. 869(3) , c=11. 718(4) A. β=96. 50(3), V=971. 1(9) A￣3, M_r=356. 36,Z=2, D_c=1. 219 g/cm￣3, μ=0. 161 mm￣(-1), and F(000)=190. The final agreement factors are R=0. 057 and R_w=0. 055 for 1311 observed independent reflections with I ≥3σ(I). The results of structure analysis indicate that the configuration of the chiral phosphorus atom is S-form.展开更多
The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic...The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic, space group C2 with a = 19.391(3), b = 5.715(4), c = 15.755(3) ? b = 115.23(1), V = 1579(1) 3, Z = 4, Dc = 1.335 g/cm3, F(000) = 672, m = 0.099 mm-1, R = 0.033 and wR = 0.060 for 1278 observed reflections (I > 2s(I)). The complex consists of (R)-mandelic acid and (R)-phenylalanine in 1:1 molar ratio, and the complex molecules form layered crystal structure by self-assembly through intermolecular H-bonding between carboxyl and carboxylate of the neighboring molecules.展开更多
Two new complexes [Pd（L-phe）2·2H2O] （1） and [Pd（4,4＇-dcbpy）（en）·H2O] （2） （L-phe = L-phenylalanine, 4,4＇-dcbpy = 2,2＇-bipyridyl-4,4＇-dicarboxylate, en = ethylenediamine） were synthesized and c...Two new complexes [Pd（L-phe）2·2H2O] （1） and [Pd（4,4＇-dcbpy）（en）·H2O] （2） （L-phe = L-phenylalanine, 4,4＇-dcbpy = 2,2＇-bipyridyl-4,4＇-dicarboxylate, en = ethylenediamine） were synthesized and characterized. L-phenylalanine was in situ formed via the hydrolysis of N-（tert-butoxycarbonyl）-L-phenylalanine, and ethylenediamine came from the in situ reaction of piperazine （pip） under hydrothermal conditions. The single-crystal X-ray structure analyses reveal that the Pd（Ⅱ） ion constructs a square planer coordination geometry in complexes 1 and 2, respectively. Complex 1 extends into a 2D layered structure via H-bond interactions and complex 2 connects into a 3D network through hydrogen bonds and 7r-tr stacking interactions. The interactions of 1 and 2 with fish sperm DNA （FS-DNA） were examined via UV-Vis absorption spectra and fluorescence spectroscopy. The cleavage reaction for plasmid DNA has been assayed by agarose gel electrophoresis. The results indicate that two complexes interact with DNA and the insertion is the main binding mode.展开更多
Two palladium(II) complexes, \[Pd(bipy)(BzPhe N,O)\] and \[Pd(phen)(BzPhe N,O)\]·4H 2 O were synthesized by reactions between Pd(bipy)Cl 2 and BzPheH 2( N benzoyl β phenylalanine), Pd(phen...Two palladium(II) complexes, \[Pd(bipy)(BzPhe N,O)\] and \[Pd(phen)(BzPhe N,O)\]·4H 2 O were synthesized by reactions between Pd(bipy)Cl 2 and BzPheH 2( N benzoyl β phenylalanine), Pd(phen)Cl 2 and BzPheH 2 in water at pH～9, with their structures determined by X ray diffraction analysis. The Pd atom is coordinated by two nitrogen atoms of bipy (or phen), the deprotonated amido type nitrogen atom and one of the carboxylic oxygens of BzPhe (BzPhe= N benzoyl β phenylalaninate dianion). In the complex \[Pd(phen)(BzPhe N,O)\]·4H 2O, the side chain of phenylalanine is located above and approximately parallels to the coordination plane. Both the aromatic aromatic stacking interaction between the phenyl ring of phenylalanine and phen, and the metal ion aromatic interaction between the phenyl ring of phenylalanine and Pd(II) were observed. \[Pd(bipy)(BzPhe N,O)\] has the phenylalanyl side chain oriented outwards from the coordination plane, which is mainly due to the interaction between the carbonyl oxygen atom of the amido group and the phenyl ring of phenylalanine. The reason for the different orientation of phenylalanyl side chain in the complexes was suggested.展开更多
基金the National Natural Science Foundation of China (No. 20672073) Shanghai Leading Academic Discipline Project (No. T0402)
文摘The title compound N-2-thiophenesulfonyl-a-L-phenylalanine ethyl ester has been synthesized. Complete assignments were achieved by IR, MS, ^1H NMR and single-crystal X-ray diffraction analyses. Using MTT assay, the inhibitory rate of the title compound on K562 cells （chronic myeloid leukemic cells） was measured and the result of preliminary bioassay showed that the title compound possesses antiproliferation 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： C15H17NO4S2, Mr = 339.42, monoclinic, space group P21, flack = -0.15（12）, a = 5.7916（10）, b = 11.5078（19）, c = 12.924（2） A, β = 97.781（3）°, Z = 2, V = 853.4（2） A^3, De = 1.321 g/cm^3, F（000） = 356, -7≤h≤7, -10≤k≤14, -15 ≤ l≤15, R = 0.0628, wR = 0.1540 and μ（MoKa） = 0.327 mm^-1. The molecule comprises a benzene and a thiofuran rings, and the intramolecular N（1）-H（1A）…O（1） makes a five-membered ring of O（1）--C（6）-C（5）--N（1）--H（1A）.
基金supported by the National Natural Science Foundation of China(No.21171132)the Project of Shandong Province Higher Educational Science and Technology Program(J14LC01)Science Foundation of Weifang
文摘A new Zn（Ⅱ） complex, [Zn（L）2（phen）（H2O）]（1, HL = N-acetyl-L-phenylalanine, phen = 1,10-phenanthroline） has been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction analysis. The Zn（Ⅱ） complex belongs to monoclinic, space group P21 with a = 12.6749（13）, b = 5.5965（6）, c = 22.985（2） A, β = 104.296（2）°, V = 1580.0（3） A^3, Z = 2, Mr = 676.02, Dc = 1.421 μg·m^（-3）, μ = 0.833 mm^-1, F（000） = 704, and the final R = 0.0460, wR = 0.0899 for 4422 observed reflections with I 〉 2σ（I）. The molecules form a 1D chained structure by hydrogen bonds. The antitumor activities of Zn（Ⅱ） complex against human hepatoma SMMC-7721 cells, human lung adenocarcinoma A549 cells and human colon carcinoma WiDr cells have also been investigated.
文摘The title compound, ethyl ester N-(iso-propylcarbamoylmethoxyphosphonyl)-(1)-α-phenylalanine(C_16H_25N_2O_5P), was synthesized by a series of reactions, and its crystal structure was determined by single crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P2_1, with a=5. 256(1), b=15. 869(3) , c=11. 718(4) A. β=96. 50(3), V=971. 1(9) A￣3, M_r=356. 36,Z=2, D_c=1. 219 g/cm￣3, μ=0. 161 mm￣(-1), and F(000)=190. The final agreement factors are R=0. 057 and R_w=0. 055 for 1311 observed independent reflections with I ≥3σ(I). The results of structure analysis indicate that the configuration of the chiral phosphorus atom is S-form.
基金The work was supported by the National Natural Science Foundation of China (29973036)
文摘The racemic phenylalanine has been separated by (R)-mandelic acid through the formation of diastereomeric molecular complex. The crystal of the title chiral complex (C8H8O3 C9H11NO2, Mr = 317.33) belongs to monoclinic, space group C2 with a = 19.391(3), b = 5.715(4), c = 15.755(3) ? b = 115.23(1), V = 1579(1) 3, Z = 4, Dc = 1.335 g/cm3, F(000) = 672, m = 0.099 mm-1, R = 0.033 and wR = 0.060 for 1278 observed reflections (I > 2s(I)). The complex consists of (R)-mandelic acid and (R)-phenylalanine in 1:1 molar ratio, and the complex molecules form layered crystal structure by self-assembly through intermolecular H-bonding between carboxyl and carboxylate of the neighboring molecules.
基金conducted in the framework of a project sponsored by the National Natural Science Foundation of China(No.21071100)Program for Liaoning Excellent Talents in University(LJQ2014043)
文摘Two new complexes [Pd（L-phe）2·2H2O] （1） and [Pd（4,4＇-dcbpy）（en）·H2O] （2） （L-phe = L-phenylalanine, 4,4＇-dcbpy = 2,2＇-bipyridyl-4,4＇-dicarboxylate, en = ethylenediamine） were synthesized and characterized. L-phenylalanine was in situ formed via the hydrolysis of N-（tert-butoxycarbonyl）-L-phenylalanine, and ethylenediamine came from the in situ reaction of piperazine （pip） under hydrothermal conditions. The single-crystal X-ray structure analyses reveal that the Pd（Ⅱ） ion constructs a square planer coordination geometry in complexes 1 and 2, respectively. Complex 1 extends into a 2D layered structure via H-bond interactions and complex 2 connects into a 3D network through hydrogen bonds and 7r-tr stacking interactions. The interactions of 1 and 2 with fish sperm DNA （FS-DNA） were examined via UV-Vis absorption spectra and fluorescence spectroscopy. The cleavage reaction for plasmid DNA has been assayed by agarose gel electrophoresis. The results indicate that two complexes interact with DNA and the insertion is the main binding mode.
基金theNaturalScienceFoundationofZhejiangProvince (No .2 980 6 8)
文摘Two palladium(II) complexes, \[Pd(bipy)(BzPhe N,O)\] and \[Pd(phen)(BzPhe N,O)\]·4H 2 O were synthesized by reactions between Pd(bipy)Cl 2 and BzPheH 2( N benzoyl β phenylalanine), Pd(phen)Cl 2 and BzPheH 2 in water at pH～9, with their structures determined by X ray diffraction analysis. The Pd atom is coordinated by two nitrogen atoms of bipy (or phen), the deprotonated amido type nitrogen atom and one of the carboxylic oxygens of BzPhe (BzPhe= N benzoyl β phenylalaninate dianion). In the complex \[Pd(phen)(BzPhe N,O)\]·4H 2O, the side chain of phenylalanine is located above and approximately parallels to the coordination plane. Both the aromatic aromatic stacking interaction between the phenyl ring of phenylalanine and phen, and the metal ion aromatic interaction between the phenyl ring of phenylalanine and Pd(II) were observed. \[Pd(bipy)(BzPhe N,O)\] has the phenylalanyl side chain oriented outwards from the coordination plane, which is mainly due to the interaction between the carbonyl oxygen atom of the amido group and the phenyl ring of phenylalanine. The reason for the different orientation of phenylalanyl side chain in the complexes was suggested.
