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去氧氟尿苷 百科内容来自于： 百度百科

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

权威数据库提供的物质信息

权威数据库提供的物质信息如下： 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 Role
Patents
Nonpatents
Nonspecific Derivatives from Patents
Nonspecific Derivatives from Nonpatents
Analytical Study
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Biological Study
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Formation, Nonpreparative
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✓
Miscellaneous

　　
✓

　　
　　
Occurrence
✓
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Preparation
✓
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Process
✓
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Properties
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Reactant or Reagent
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Uses
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Bioactivity Indicators


　　
References
Anti-infective agents (all) >> Antibiotics
42
Antitumor agents (all) > Alkylating agents MD biological
44
Antitumor agents (all) > Antiangiogenic agents
33
Antitumor agents (all) > Antitumor agents
459

Target Indicators


　　
References
Enzymes (all) >>> Dihydrouracil dehydrogenase
36
Enzymes (all) >>> Pyrimidine nucleoside phosphorylase
18
Enzymes (all) >>> Thymidine phosphorylase
83
Enzymes (all) >> Thymidylate synthase
19
Enzymes (all) >>>>> Tyrosine kinase
17
Enzymes (all) >>> Uridine phosphorylase
20
Growth factors MD animal (all) >> Vascular endothelial growth factor
13
Proteins
11
Receptors (all) >>>> Epidermal growth factor receptors
15
Receptors (all) >>> Epidermal growth factor receptors
15
Predicted Properties: BiologicalChemicalDensityLipinski and RelatedSpectraStructure-related
Biological Properties
Value
Condition
Note
Bioconcentration Factor
1.0
pH 1 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 2 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 3 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 4 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 5 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 6 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 7 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 8 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 9 Temp: 25 °C
(20)
Bioconcentration Factor
1.0
pH 10 Temp: 25 °C
(20)
Chemical Properties
Value
Condition
Note
Koc
9.63
pH 1 Temp: 25 °C
(20)
Koc
9.63
pH 2 Temp: 25 °C
(20)
Koc
9.63
pH 3 Temp: 25 °C
(20)
Koc
9.63
pH 4 Temp: 25 °C
(20)
Koc
9.60
pH 5 Temp: 25 °C
(20)
Koc
9.36
pH 6 Temp: 25 °C
(20)
Koc
7.45
pH 7 Temp: 25 °C
(20)
Koc
2.50
pH 8 Temp: 25 °C
(20)
Koc
1.0
pH 9 Temp: 25 °C
(20)
Koc
1.0
pH 10 Temp: 25 °C
(20)
logD
-0.72
pH 1 Temp: 25 °C
(20)
logD
-0.72
pH 2 Temp: 25 °C
(20)
logD
-0.72
pH 3 Temp: 25 °C
(20)
logD
-0.72
pH 4 Temp: 25 °C
(20)
logD
-0.72
pH 5 Temp: 25 °C
(20)
logD
-0.74
pH 6 Temp: 25 °C
(20)
logD
-0.83
pH 7 Temp: 25 °C
(20)
logD
-1.31
pH 8 Temp: 25 °C
(20)
logD
-2.10
pH 9 Temp: 25 °C
(20)
logD
-2.60
pH 10 Temp: 25 °C
(20)
logP
-0.723±0.510
Temp: 25 °C
(20)
Mass Intrinsic Solubility
Very Soluble (110 g/L)
Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
pH 1 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
pH 2 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
pH 3 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
pH 4 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
pH 5 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (120 g/L)
pH 6 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (150 g/L)
pH 7 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (433 g/L)
pH 8 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (1000 g/L)
pH 9 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (1000 g/L)
pH 10 Temp: 25 °C
(20)
Mass Solubility
Very Soluble (110 g/L)
Unbuffered Water pH 3.93 Temp: 25 °C
(20)
Molar Intrinsic Solubility
Soluble (0.46 mol/L)
Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
pH 1 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
pH 2 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
pH 3 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
pH 4 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
pH 5 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.47 mol/L)
pH 6 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.59 mol/L)
pH 7 Temp: 25 °C
(20)
Molar Solubility
Very Soluble (1.76 mol/L)
pH 8 Temp: 25 °C
(20)
Molar Solubility
Very Soluble (4.06 mol/L)
pH 9 Temp: 25 °C
(20)
Molar Solubility
Very Soluble (4.06 mol/L)
pH 10 Temp: 25 °C
(20)
Molar Solubility
Soluble (0.46 mol/L)
Unbuffered Water pH 3.93 Temp: 25 °C
(20)
Molecular Weight
246.19

　　
(20)
pKa
7.63±0.10
Most Acidic Temp: 25 °C
(20)
Density Properties
Value
Condition
Note
Density
1.63±0.1 g/cm3
Temp: 20 °C Press: 760 Torr
(20)
Molar Volume
150.6±5.0 cm3/mol
Temp: 20 °C Press: 760 Torr
(20)
Lipinski and Related Properties
Value
Condition
Note
Freely Rotatable Bonds
3

　　
(20)
H Acceptors
7

　　
(20)
H Donors
3

　　
(20)
H Donor/Acceptor Sum
10

　　
(20)
logP
-0.723±0.510
Temp: 25 °C
(20)
Molecular Weight
246.19

　　
(20)
Spectra Properties
Value
Condition
Note
Carbon-13 NMR Spectrum
See spectrum

　　
(21)
Proton NMR Spectrum
See spectrum

　　
(21)
Structure-related Properties
Value
Condition
Note
Polar Surface Area
99.1 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 ScatteringSpectraThermal
Biological Properties
Value
Condition
Note
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(1)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(2)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(3)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(4)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(5)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(6)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(7)CAS
ADME (Absorption, Distribution, Metabolism, Excretion)
See full text

　　
(8)CAS
Half-Life (Biological)
See full text

　　
(2)CAS
Half-Life (Biological)
See full text

　　
(3)CAS
Half-Life (Biological)
See full text

　　
(4)CAS
Half-Life (Biological)
See full text

　　
(5)CAS
Half-Life (Biological)
See full text

　　
(6)CAS
Half-Life (Biological)
See full text

　　
(8)CAS
Half-Life (Biological)
See full text

　　
(7)CAS
LC50
See full text

　　
(9)CAS
LD50
See full text

　　
(10)CAS
LD50
See full text

　　
(11)CAS
Median Lethal Dose(LD50)
>5000 mg/kg
Organism: mouse Route: oral
(14)CAS
Median Lethal Dose(LD50)
>5000 mg/kg
Organism: mouse Route: oral
(15)APC
Median Lethal Dose(LD50)
3471 mg/kg
Organism: rat Route: oral
(15)APC
Median Lethal Dose(LD50)
>2000 mg/kg
Organism: mouse Route: subcutaneous
(14)CAS
Median Lethal Dose(LD50)
>1000 mg/kg
Organism: mouse Route: intravenous
(14)CAS
Chemical Properties
Value
Condition
Note
logP
See full text

　　
(9)CAS
Lipinski and Related Properties
Value
Condition
Note
logP
See full text

　　
(9)CAS
Optical and Scattering Properties
Value
Condition
Note
Optical Rotatory Power
+18.4 °
Conc: 0.419 g/100mL; Solv: water (7732-18-5); Wavlen: 589.3 nm; Temp: 25 °C
(15)APC
Spectra Properties
Value
Condition
Note
Mass Spectrum
See full text

　　
(12)CAS
Mass Spectrum
See full text

　　
(13)CAS
Proton NMR Spectrum
See full text

　　
(17)CAS
Proton NMR Spectrum
See full text

　　
(18)IC
UV and Visible Absorption Spectrum
See full text

　　
(19)CAS
Thermal Properties
Value
Condition
Note
Melting Point
192-193 °C

　　
(15)APC
Melting Point
190 °C

　　
(16)SRC
Melting Point
189-190 °C

　　
(15)APC
Melting Point
186-188 °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。
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