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