中文名称：去氧氟尿苷  去氧氟尿苷英文名称：5'-Deoxy-5-fluorouridine英文别名：1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluorouracilCAS号：3094-09-5分子式：C9H11FN2O5分子量：246.19纯度：>98.0%MDL号：MFCD00866530  去氧氟尿苷[1]权威数据库提供的物质信息[1]如下：CASRegistryNumber：3094-09-5C9H11FN2O5Uridine,5'-deoxy-5-fluoro-5-Fluoro-5'-deoxyuridine;5-Fluorodesoxyuridine;5'-DFUR;5'-Deoxy-5-fluorouridine;5'-dFUrd;Doxifluridine;Flutron;Furtulon;Ro21-9738DeletedCASRegistryNumbers:1226642-64-3CASRolePatentsNonpatentsNonspecificDerivativesfromPatentsNonspecificDerivativesfromNonpatentsAnalyticalStudy✓✓​✓BiologicalStudy✓✓✓✓Formation,Nonpreparative✓✓​✓Miscellaneous​✓​​Occurrence✓✓​​Preparation✓✓✓✓Process✓✓​✓Properties✓✓✓​ReactantorReagent✓✓​​Uses✓✓✓✓BioactivityIndicators​ReferencesAnti-infectiveagents(all)>>Antibiotics42Antitumoragents(all)>AlkylatingagentsMDbiological44Antitumoragents(all)>Antiangiogenicagents33Antitumoragents(all)>Antitumoragents459TargetIndicators​ReferencesEnzymes(all)>>>Dihydrouracildehydrogenase36Enzymes(all)>>>Pyrimidinenucleosidephosphorylase18Enzymes(all)>>>Thymidinephosphorylase83Enzymes(all)>>Thymidylatesynthase19Enzymes(all)>>>>>Tyrosinekinase17Enzymes(all)>>>Uridinephosphorylase20GrowthfactorsMDanimal(all)>>Vascularendothelialgrowthfactor13Proteins11Receptors(all)>>>>Epidermalgrowthfactorreceptors15Receptors(all)>>>Epidermalgrowthfactorreceptors15PredictedProperties:BiologicalChemicalDensityLipinskiandRelatedSpectraStructure-relatedBiologicalPropertiesValueConditionNoteBioconcentrationFactor1.0pH1Temp:25°C(20)BioconcentrationFactor1.0pH2Temp:25°C(20)BioconcentrationFactor1.0pH3Temp:25°C(20)BioconcentrationFactor1.0pH4Temp:25°C(20)BioconcentrationFactor1.0pH5Temp:25°C(20)BioconcentrationFactor1.0pH6Temp:25°C(20)BioconcentrationFactor1.0pH7Temp:25°C(20)BioconcentrationFactor1.0pH8Temp:25°C(20)BioconcentrationFactor1.0pH9Temp:25°C(20)BioconcentrationFactor1.0pH10Temp:25°C(20)ChemicalPropertiesValueConditionNoteKoc9.63pH1Temp:25°C(20)Koc9.63pH2Temp:25°C(20)Koc9.63pH3Temp:25°C(20)Koc9.63pH4Temp:25°C(20)Koc9.60pH5Temp:25°C(20)Koc9.36pH6Temp:25°C(20)Koc7.45pH7Temp:25°C(20)Koc2.50pH8Temp:25°C(20)Koc1.0pH9Temp:25°C(20)Koc1.0pH10Temp:25°C(20)logD-0.72pH1Temp:25°C(20)logD-0.72pH2Temp:25°C(20)logD-0.72pH3Temp:25°C(20)logD-0.72pH4Temp:25°C(20)logD-0.72pH5Temp:25°C(20)logD-0.74pH6Temp:25°C(20)logD-0.83pH7Temp:25°C(20)logD-1.31pH8Temp:25°C(20)logD-2.10pH9Temp:25°C(20)logD-2.60pH10Temp:25°C(20)logP-0.723±0.510Temp:25°C(20)MassIntrinsicSolubilityVerySoluble(110g/L)Temp:25°C(20)MassSolubilityVerySoluble(110g/L)pH1Temp:25°C(20)MassSolubilityVerySoluble(110g/L)pH2Temp:25°C(20)MassSolubilityVerySoluble(110g/L)pH3Temp:25°C(20)MassSolubilityVerySoluble(110g/L)pH4Temp:25°C(20)MassSolubilityVerySoluble(110g/L)pH5Temp:25°C(20)MassSolubilityVerySoluble(120g/L)pH6Temp:25°C(20)MassSolubilityVerySoluble(150g/L)pH7Temp:25°C(20)MassSolubilityVerySoluble(433g/L)pH8Temp:25°C(20)MassSolubilityVerySoluble(1000g/L)pH9Temp:25°C(20)MassSolubilityVerySoluble(1000g/L)pH10Temp:25°C(20)MassSolubilityVerySoluble(110g/L)UnbufferedWaterpH3.93Temp:25°C(20)MolarIntrinsicSolubilitySoluble(0.46mol/L)Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)pH1Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)pH2Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)pH3Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)pH4Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)pH5Temp:25°C(20)MolarSolubilitySoluble(0.47mol/L)pH6Temp:25°C(20)MolarSolubilitySoluble(0.59mol/L)pH7Temp:25°C(20)MolarSolubilityVerySoluble(1.76mol/L)pH8Temp:25°C(20)MolarSolubilityVerySoluble(4.06mol/L)pH9Temp:25°C(20)MolarSolubilityVerySoluble(4.06mol/L)pH10Temp:25°C(20)MolarSolubilitySoluble(0.46mol/L)UnbufferedWaterpH3.93Temp:25°C(20)MolecularWeight246.19​(20)pKa7.63±0.10MostAcidicTemp:25°C(20)DensityPropertiesValueConditionNoteDensity1.63±0.1g/cm3Temp:20°CPress:760Torr(20)MolarVolume150.6±5.0cm3/molTemp:20°CPress:760Torr(20)LipinskiandRelatedPropertiesValueConditionNoteFreelyRotatableBonds3​(20)HAcceptors7​(20)HDonors3​(20)HDonor/AcceptorSum10​(20)logP-0.723±0.510Temp:25°C(20)MolecularWeight246.19​(20)SpectraPropertiesValueConditionNoteCarbon-13NMRSpectrumSeespectrum​(21)ProtonNMRSpectrumSeespectrum​(21)Structure-relatedPropertiesValueConditionNotePolarSurfaceArea99.1A2​(20)(20)CalculatedusingAdvancedChemistryDevelopment(ACD/Labs)SoftwareV11.02(©1994-2012ACD/Labs)(21)PredictedNMRdatacalculatedusingAdvancedChemistryDevelopment,Inc.(ACD/Labs)SoftwareV11.01(©1994-2012ACD/Labs)ExperimentalProperties:BiologicalChemicalLipinskiandRelatedOpticalandScatteringSpectraThermalBiologicalPropertiesValueConditionNoteADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(1)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(2)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(3)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(4)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(5)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(6)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(7)CASADME(Absorption,Distribution,Metabolism,Excretion)Seefulltext​(8)CASHalf-Life(Biological)Seefulltext​(2)CASHalf-Life(Biological)Seefulltext​(3)CASHalf-Life(Biological)Seefulltext​(4)CASHalf-Life(Biological)Seefulltext​(5)CASHalf-Life(Biological)Seefulltext​(6)CASHalf-Life(Biological)Seefulltext​(8)CASHalf-Life(Biological)Seefulltext​(7)CASLC50Seefulltext​(9)CASLD50Seefulltext​(10)CASLD50Seefulltext​(11)CASMedianLethalDose(LD50)>5000mg/kgOrganism:mouseRoute:oral(14)CASMedianLethalDose(LD50)>5000mg/kgOrganism:mouseRoute:oral(15)APCMedianLethalDose(LD50)3471mg/kgOrganism:ratRoute:oral(15)APCMedianLethalDose(LD50)>2000mg/kgOrganism:mouseRoute:subcutaneous(14)CASMedianLethalDose(LD50)>1000mg/kgOrganism:mouseRoute:intravenous(14)CASChemicalPropertiesValueConditionNotelogPSeefulltext​(9)CASLipinskiandRelatedPropertiesValueConditionNotelogPSeefulltext​(9)CASOpticalandScatteringPropertiesValueConditionNoteOpticalRotatoryPower+18.4°Conc:0.419g/100mL;Solv:water(7732-18-5);Wavlen:589.3nm;Temp:25°C(15)APCSpectraPropertiesValueConditionNoteMassSpectrumSeefulltext​(12)CASMassSpectrumSeefulltext​(13)CASProtonNMRSpectrumSeefulltext​(17)CASProtonNMRSpectrumSeefulltext​(18)ICUVandVisibleAbsorptionSpectrumSeefulltext​(19)CASThermalPropertiesValueConditionNoteMeltingPoint192-193°C​(15)APCMeltingPoint190°C​(16)SRCMeltingPoint189-190°C​(15)APCMeltingPoint186-188°C​(15)APC药物名称：　去氧氟尿苷药物别名：　氟铁龙、脱氧氟尿苷Furtulon英文名称：　doxifluridine药物说明：　胶囊：200mg功用作用：　胃癌、结肠、直肠癌、乳腺癌、宫颈癌、膀胱癌。