The title compound 3,3＇-（2,2＇-（ethane-1,2-diylbis（oxy））bis（ethane-2,1-diyl））bis（2- （4-chlorophenylamino）quinazolin-4（3H）-one） 3 （C34H30CI2N604, Mr = 657.54） has been synthesized and its crystal struc...The title compound 3,3＇-（2,2＇-（ethane-1,2-diylbis（oxy））bis（ethane-2,1-diyl））bis（2- （4-chlorophenylamino）quinazolin-4（3H）-one） 3 （C34H30CI2N604, Mr = 657.54） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in space group P1 with a = 9.9185（8）, b = 10.6124（9）, c = 15.4064（13） A, α = 92.896（2）,β = 103.813（2）, γ= 94.635（2）°, V= 1565.5（2） A3, Z = 2, Dc = 1.395 g/cm^3,μ = 0.257 mm^-1, F（000） = 684, the final R = 0.0580 and wR = 0.1284 for 3400 observed reflections （I〉 2σ（I）. It remains triclinic in the crystal. Intra- and intermolecular N（3）-H（3A）…O（2）, N（6）-H（6A）…O（3） and C（19）-H（19A）…O（4） #1 （#1： 1-x, 1-y, -z） hydrogen bonds are observed in the title compound. A two-dimensional chain network is formed from the dimmers and intermolecular π-π interactions in the crystal structure. This open network has solvent-accessible voids （10A3）.展开更多
Four cytotoxic oxazolidin-2-one derivatives were prepared from alkynyl alcohol and isocynate with high yields of 83～95%, and their structures were characterized by IR, H-RESI-MS and NMR analysis. Meanwhile, the cryst...Four cytotoxic oxazolidin-2-one derivatives were prepared from alkynyl alcohol and isocynate with high yields of 83～95%, and their structures were characterized by IR, H-RESI-MS and NMR analysis. Meanwhile, the crystal of （Z）-4-benzylidene-3-ethyl-1-oxa-3-azaspiro[4.4] nonan-2-one （5a） was obtained and determined by X-ray single-crystal diffraction. Crystal data： monoclinic system, space group P121/c1, a = 10.9284（2）, b = 9.47510（10）, c = 14.2510（2） ？, β = 111.917（2）o, V = 1369.01（3） ？3, Z = 4, F（000） = 552.0, Dc = 1.248 Mg/m3, μ = 0.652 mm-1, R = 0.0473 and wR = 0.1207 for 2699 independent reflections （Rint = 0.0206） and 2581 observed ones （I 〉 2σ（I））.展开更多
All-trans retinoic acid (ATRA) triggers a wide range of effects on vertebrate development by regulating cell proliferation, differentiation, and apoptosis. ATRA activates retinoic acid receptors (RARs) which heterodim...All-trans retinoic acid (ATRA) triggers a wide range of effects on vertebrate development by regulating cell proliferation, differentiation, and apoptosis. ATRA activates retinoic acid receptors (RARs) which heterodimerize with retinoid X receptors (RXRs). RAR/RXR heterodimers function as ATRA-dependent transcriptional regulators by binding to retinoic acid response elements (RAREs). To identify RAR/RXR heterodimer-binding sites in the human genome, we performed a modified yeast one-hybrid assays and identified 193 RAR/RXR heterodimer-binding fragments in the human genome. The putative target genes included genes involved in development process and cell differentiation. Gel mobility shift assays indicated that 160 putative RAREs could directly interact with the RAR/RXR heterodimer. Moreover, 19 functional regulatory single nucleotide polymorphisms (rSNPs) on the RAR/RXR-binding sequences were identified by analyzing the difference in the DNA-binding affinities. These results provide insights into the molecular mechanisms underlying the physiological and pathological actions of RAR/RXR heterodimers.展开更多
基金supported by the Open Fund of Ministry-of-education Key Laboratory for the Synthesis and Application of Organic Functional Molecules (No. 2006-KL-013)
文摘The title compound 3,3＇-（2,2＇-（ethane-1,2-diylbis（oxy））bis（ethane-2,1-diyl））bis（2- （4-chlorophenylamino）quinazolin-4（3H）-one） 3 （C34H30CI2N604, Mr = 657.54） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in space group P1 with a = 9.9185（8）, b = 10.6124（9）, c = 15.4064（13） A, α = 92.896（2）,β = 103.813（2）, γ= 94.635（2）°, V= 1565.5（2） A3, Z = 2, Dc = 1.395 g/cm^3,μ = 0.257 mm^-1, F（000） = 684, the final R = 0.0580 and wR = 0.1284 for 3400 observed reflections （I〉 2σ（I）. It remains triclinic in the crystal. Intra- and intermolecular N（3）-H（3A）…O（2）, N（6）-H（6A）…O（3） and C（19）-H（19A）…O（4） #1 （#1： 1-x, 1-y, -z） hydrogen bonds are observed in the title compound. A two-dimensional chain network is formed from the dimmers and intermolecular π-π interactions in the crystal structure. This open network has solvent-accessible voids （10A3）.
基金Financially supported by the National Natural Science Foundation of China(21602123)Scientific Foundation from graduate school of China Three Gorges University(SDYC2016121)
文摘Four cytotoxic oxazolidin-2-one derivatives were prepared from alkynyl alcohol and isocynate with high yields of 83～95%, and their structures were characterized by IR, H-RESI-MS and NMR analysis. Meanwhile, the crystal of （Z）-4-benzylidene-3-ethyl-1-oxa-3-azaspiro[4.4] nonan-2-one （5a） was obtained and determined by X-ray single-crystal diffraction. Crystal data： monoclinic system, space group P121/c1, a = 10.9284（2）, b = 9.47510（10）, c = 14.2510（2） ？, β = 111.917（2）o, V = 1369.01（3） ？3, Z = 4, F（000） = 552.0, Dc = 1.248 Mg/m3, μ = 0.652 mm-1, R = 0.0473 and wR = 0.1207 for 2699 independent reflections （Rint = 0.0206） and 2581 observed ones （I 〉 2σ（I））.
文摘All-trans retinoic acid (ATRA) triggers a wide range of effects on vertebrate development by regulating cell proliferation, differentiation, and apoptosis. ATRA activates retinoic acid receptors (RARs) which heterodimerize with retinoid X receptors (RXRs). RAR/RXR heterodimers function as ATRA-dependent transcriptional regulators by binding to retinoic acid response elements (RAREs). To identify RAR/RXR heterodimer-binding sites in the human genome, we performed a modified yeast one-hybrid assays and identified 193 RAR/RXR heterodimer-binding fragments in the human genome. The putative target genes included genes involved in development process and cell differentiation. Gel mobility shift assays indicated that 160 putative RAREs could directly interact with the RAR/RXR heterodimer. Moreover, 19 functional regulatory single nucleotide polymorphisms (rSNPs) on the RAR/RXR-binding sequences were identified by analyzing the difference in the DNA-binding affinities. These results provide insights into the molecular mechanisms underlying the physiological and pathological actions of RAR/RXR heterodimers.
