5-Methylpyrimidine-2,4(1H,3H)-dione 5-甲基尿嘧啶

CAS 65-71-4 MFCD00006026

化学结构图

65-71-4
SMILES: Cc1c[nH]c(=O)[nH]c1=O

化学属性

Mol. FormulaC5H6N2O2
Mol. Weight126.11
Density1.226
Melting Point316°C
TSCAYes
Stability对光敏感
Appearance 白色结晶粉末，常温难溶于水，微溶于醇，溶于碱液、酸、甲酰胺，DMF及吡啶。熔点320-330℃。
SolubilitySoluble in 1M Sodium hydroxide (50 mg/ml).
Boiling Point234.21 °C at 760 mmHg

别名和识别编码

Chemical Name5-Methylpyrimidine-2,4(1H,3H)-dione
Synonym Thymine {LY} Thymine {} {LY} Thymine {} {} {LY} Thymine {} {} {} {LY} Thymine {} {} {} {} {LY} Thymine {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00006026
CAS Number65-71-4
EC Number200-616-1
Beilstein Registry Number117880
PubChem Substance ID87576220
Merck Number9398
Reaxys-RN607626
Chemical Name Translation5-甲基尿嘧啶
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
Wiswesser Line NotationT6N CNJ BQ DQ E1
LabNetwork Molecule IDLN00153399
Canonical SMILESO=C1NC(C(C)=CN1)=O
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分类

  • {SNA} Allium
  • {SNA} Bioactive Small Molecules,
  • {SNA} Allium sativum (Garlic), Bioactive Small Molecules, Citrus aurantium (Seville orange), Metabolic Pathways, Metabolites and Cofactors on the Metabolic Pathways Chart, Nucleotide, Nutrition Research, Phytochemicals by Pla
  • {SNA} Allium sat
  • {SNA} Miscellaneous Reagents and Supplements, 细胞培养, 试剂和添加剂
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • {SNA} Allium sativum (Garlic), Bioactive Small Molecules, Citrus aurantium (Seville orange), Metabolic Pathways, Metabolites and Cofactors on the Metabolic Pathways Chart, Nucleotide, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb),

产品应用

  • A nucleobase found in deoxyribonucleic acids (DNA).

相关文献及参考

  • Merck: 14,9398
  • Merck: 14,9398 Beilstein:24,353
  • [1]. Tuchman M, et al. Effects of uridine and thymidine on the degradation of 5-fluorouracil, uracil, and thymine by rat liver dihydropyrimidine dehydrogenase. Cancer Res. 1985 Nov;45(11 Pt 1):5553-6.

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36 Irritating to eyes 刺激眼睛
Precautionary statements
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
RTECSXP2100000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Storage condition 2-8°C {LY} 2-8°C Store at RT. {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 44,56,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 60,251,1954

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie.  (Akademie-Verlag GmbH,
   Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.)  V.1-    1960-
   Volume(issue)/page/year: 12,583,1972

其他信息

  • 用途一:5-甲基嘧啶是遗传物质的重要组成部分，是合成抗艾滋病药物AZT、DDT及相关药物的关键中间体，也是合成抗肿瘤，抗病毒药物β-胸苷的起始原料。
  • 图谱信息:5-甲基脲嘧啶(65-71-4)质谱(MS) 5-甲基脲嘧啶(65-71-4)红外图谱(IR2) 5-甲基脲嘧啶(65-71-4)核磁图( 1 HNMR) 5-甲基脲嘧啶(65-71-4)Raman光谱 5-甲基脲嘧啶(65-71-4)红外图谱(IR1) 5-甲基脲嘧啶(65-71-4)核磁图( 13 CNMR)
  • 用途二:胸腺嘧啶是遗传物质的重要组成部分，是合成抗艾滋病药物AZT、DDT及相关药物的关键中间体，也是合成抗肿瘤，抗病毒药物β-胸苷的起始原料。
  • Acros Organics:胸腺嘧啶 Thymine, 99%(65-71-4)
  • Sigma Aldrich:65-71-4(sigmaaldrich)
  • Alfa Aesar:胸腺嘧啶,97% Thymine, 97%(65-71-4)
  • 上游原料:乙醇 --> 盐酸 --> 甲醇 --> 乙酸 --> 尿素 --> 甲基丙烯酸甲酯 --> 乙酸丁酯
  • MOL 文件:65-71-4.mol
  • 5-甲基脲嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 65012232 胸腺嘧啶;5-甲基尿嘧啶;2,4-二羟基-5-甲基嘧啶;胸腺素;胸腺间氮苯 5g 49.6元 2011/04/16 T0234 胸腺嘧啶 Thymine 25G 315元 2011/04/16 T0234 胸腺嘧啶 Thymine 5G 90元
  • 易溶于碱液并成盐，溶于酸、甲酰胺，DMF及吡啶。溶于热水，微溶于冷水、乙醇、乙醚。335～337℃分解。
  • 检测方法:HPLC,NMR
  • MSDS 信息:5-Methyluracil(65-71-4).msds
  • TCI Shanghai:胸腺嘧啶 Thymine,>;98.0%(LC)(T)(65-71-4)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. T - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Allium sativum (Garlic) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Life Science 生命科学
  2. Metabolomics 代谢组学
  3. Metabolic Pathways - Metabolomics
  4. Metabolites and Cofactors on the Metabolic Pathways Chart - Metabolic Pathways
  5. Nucleotide - Metabolites and Cofactors on the Metabolic Pathways Chart
  1. C9 to C46
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. DNA / RNA Synthesis
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Culture
  4. Lipids and Lipid Carriers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Microscopy Reagents
  4. Stains and Dyes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Reagents and Supplements
  4. Lipids and Lipid Carriers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Culture
  4. Reagents and Supplements
  5. Lipids and Lipid Carriers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Metabolomics
  4. Metabolic Pathways
  5. Metabolites and Cofactors on the Metabolic Pathways Chart
  6. Lipid
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Metabolomics
  5. Metabolic Pathways
  6. Metabolites and Cofactors on the Metabolic Pathways Chart
  7. Lipid
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)