标题：去氧氟尿苷
基本信息
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-fluorouracil
CAS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
权威数据库提供的物质信息[1]如下： CAS Registry Number：3094-09-5C9 H11 F N2 O5
Uridine, 5'-deoxy-5-fluoro-5-Fluoro-5'-deoxyuridine; 5-Fluorodesoxyuridine; 5'-DFUR; 5'-Deoxy-5-fluorouridine; 5'-dFUrd; Doxifluridine; Flutron; Furtulon; Ro 21-9738
Deleted CAS Registry Numbers: 1226642-64-3
CAS RolePatents Nonpatents Nonspecific Derivatives from Patents Nonspecific Derivatives from Nonpatents Analytical Study ✓✓​✓Biological Study ✓✓✓ ✓Formation, Nonpreparative ✓✓​✓Miscellaneous ​✓​​Occurrence ✓✓​​Preparation ✓✓✓ ✓Process ✓✓​✓Properties ✓✓✓ ​Reactant or Reagent ✓✓​​Uses ✓✓✓ ✓
Bioactivity Indicators​ReferencesAnti-infective agents (all) >> Antibiotics42Antitumor agents (all) > Alkylating agents MD biological44Antitumor agents (all) > Antiangiogenic agents33Antitumor agents (all) > Antitumor agents459
Target Indicators​ReferencesEnzymes (all) >>> Dihydrouracil dehydrogenase36Enzymes (all) >>> Pyrimidine nucleoside phosphorylase18Enzymes (all) >>> Thymidine phosphorylase83Enzymes (all) >> Thymidylate synthase19Enzymes (all) >>>>> Tyrosine kinase17Enzymes (all) >>> Uridine phosphorylase20Growth factors MD animal (all) >> Vascular endothelial growth factor13Proteins11Receptors (all) >>>> Epidermal growth factor receptors15Receptors (all) >>> Epidermal growth factor receptors15
Predicted Properties: BiologicalChemicalDensityLipinski and RelatedSpectraStructure-relatedBiological PropertiesValueConditionNoteBioconcentration Factor1.0pH 1 Temp: 25 °C(20)Bioconcentration Factor1.0pH 2 Temp: 25 °C(20)Bioconcentration Factor1.0pH 3 Temp: 25 °C(20)Bioconcentration Factor1.0pH 4 Temp: 25 °C(20)Bioconcentration Factor1.0pH 5 Temp: 25 °C(20)Bioconcentration Factor1.0pH 6 Temp: 25 °C(20)Bioconcentration Factor1.0pH 7 Temp: 25 °C(20)Bioconcentration Factor1.0pH 8 Temp: 25 °C(20)Bioconcentration Factor1.0pH 9 Temp: 25 °C(20)Bioconcentration Factor1.0pH 10 Temp: 25 °C(20)Chemical PropertiesValueConditionNoteKoc9.63pH 1 Temp: 25 °C(20)Koc9.63pH 2 Temp: 25 °C(20)Koc9.63pH 3 Temp: 25 °C(20)Koc9.63pH 4 Temp: 25 °C(20)Koc9.60pH 5 Temp: 25 °C(20)Koc9.36pH 6 Temp: 25 °C(20)Koc7.45pH 7 Temp: 25 °C(20)Koc2.50pH 8 Temp: 25 °C(20)Koc1.0pH 9 Temp: 25 °C(20)Koc1.0pH 10 Temp: 25 °C(20)logD-0.72pH 1 Temp: 25 °C(20)logD-0.72pH 2 Temp: 25 °C(20)logD-0.72pH 3 Temp: 25 °C(20)logD-0.72pH 4 Temp: 25 °C(20)logD-0.72pH 5 Temp: 25 °C(20)logD-0.74pH 6 Temp: 25 °C(20)logD-0.83pH 7 Temp: 25 °C(20)logD-1.31pH 8 Temp: 25 °C(20)logD-2.10pH 9 Temp: 25 °C(20)logD-2.60pH 10 Temp: 25 °C(20)logP-0.723±0.510Temp: 25 °C(20)Mass Intrinsic SolubilityVery Soluble (110 g/L)Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)pH 1 Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)pH 2 Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)pH 3 Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)pH 4 Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)pH 5 Temp: 25 °C(20)Mass SolubilityVery Soluble (120 g/L)pH 6 Temp: 25 °C(20)Mass SolubilityVery Soluble (150 g/L)pH 7 Temp: 25 °C(20)Mass SolubilityVery Soluble (433 g/L)pH 8 Temp: 25 °C(20)Mass SolubilityVery Soluble (1000 g/L)pH 9 Temp: 25 °C(20)Mass SolubilityVery Soluble (1000 g/L)pH 10 Temp: 25 °C(20)Mass SolubilityVery Soluble (110 g/L)Unbuffered Water pH 3.93 Temp: 25 °C(20)Molar Intrinsic SolubilitySoluble (0.46 mol/L)Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)pH 1 Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)pH 2 Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)pH 3 Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)pH 4 Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)pH 5 Temp: 25 °C(20)Molar SolubilitySoluble (0.47 mol/L)pH 6 Temp: 25 °C(20)Molar SolubilitySoluble (0.59 mol/L)pH 7 Temp: 25 °C(20)Molar SolubilityVery Soluble (1.76 mol/L)pH 8 Temp: 25 °C(20)Molar SolubilityVery Soluble (4.06 mol/L)pH 9 Temp: 25 °C(20)Molar SolubilityVery Soluble (4.06 mol/L)pH 10 Temp: 25 °C(20)Molar SolubilitySoluble (0.46 mol/L)Unbuffered Water pH 3.93 Temp: 25 °C(20)Molecular Weight246.19​(20)pKa7.63±0.10Most Acidic Temp: 25 °C(20)Density PropertiesValueConditionNoteDensity1.63±0.1 g/cm3Temp: 20 °C Press: 760 Torr(20)Molar Volume150.6±5.0 cm3/molTemp: 20 °C Press: 760 Torr(20)Lipinski and Related PropertiesValueConditionNoteFreely Rotatable Bonds3​(20)H Acceptors7​(20)H Donors3​(20)H Donor/Acceptor Sum10​(20)logP-0.723±0.510Temp: 25 °C(20)Molecular Weight246.19​(20)Spectra PropertiesValueConditionNoteCarbon-13 NMR SpectrumSee spectrum​(21)Proton NMR SpectrumSee spectrum​(21)Structure-related PropertiesValueConditionNotePolar Surface Area99.1 A2​(20)
(20) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2012 ACD/Labs)(21) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V11.01 (© 1994-2012 ACD/Labs)Experimental Properties: BiologicalChemicalLipinski and RelatedOptical and ScatteringSpectraThermalBiological PropertiesValueConditionNoteADME (Absorption, Distribution, Metabolism, Excretion)See full text​(1)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(2)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(3)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(4)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(5)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(6)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(7)CASADME (Absorption, Distribution, Metabolism, Excretion)See full text​(8)CASHalf-Life (Biological)See full text​(2)CASHalf-Life (Biological)See full text​(3)CASHalf-Life (Biological)See full text​(4)CASHalf-Life (Biological)See full text​(5)CASHalf-Life (Biological)See full text​(6)CASHalf-Life (Biological)See full text​(8)CASHalf-Life (Biological)See full text​(7)CASLC50See full text​(9)CASLD50See full text​(10)CASLD50See full text​(11)CASMedian Lethal Dose(LD50)>5000 mg/kgOrganism: mouse Route: oral(14)CASMedian Lethal Dose(LD50)>5000 mg/kgOrganism: mouse Route: oral(15)APCMedian Lethal Dose(LD50)3471 mg/kgOrganism: rat Route: oral(15)APCMedian Lethal Dose(LD50)>2000 mg/kgOrganism: mouse Route: subcutaneous(14)CASMedian Lethal Dose(LD50)>1000 mg/kgOrganism: mouse Route: intravenous(14)CASChemical PropertiesValueConditionNotelogPSee full text​(9)CASLipinski and Related PropertiesValueConditionNotelogPSee full text​(9)CASOptical and Scattering PropertiesValueConditionNoteOptical Rotatory Power+18.4 °Conc: 0.419 g/100mL; Solv: water (7732-18-5); Wavlen: 589.3 nm; Temp: 25 °C(15)APCSpectra PropertiesValueConditionNoteMass SpectrumSee full text​(12)CASMass SpectrumSee full text​(13)CASProton NMR SpectrumSee full text​(17)CASProton NMR SpectrumSee full text​(18)ICUV and Visible Absorption SpectrumSee full text​(19)CASThermal PropertiesValueConditionNoteMelting Point192-193 °C​(15)APCMelting Point190 °C​(16)SRCMelting Point189-190 °C​(15)APCMelting Point186-188 °C​(15)APC
药品信息
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。 　
用法用量： 　800-1200mg/日，分3-4次口服，可按年龄、症状适当增减。 　
注意事项： 　对本药有严重过敏者禁用。骨髓抑制，肝、肾功能障碍，并发感染，心脏疾病或有心脏病史，水痘患者慎用。
对妊娠和哺乳的影响动物实验显示，本药有致畸作用，并可进入乳汁，故孕妇不宜使用，哺乳妇女用药时应停止哺乳。
对儿童的影响早产儿、新生儿、乳婴或小儿的安全性尚未确定。
对老年人的影响一般高龄者的生理机能低下，应慎用。