6-Methyluracil 6-甲基脲嘧啶

CAS 626-48-2 MFCD00006028

化学结构图

626-48-2
SMILES: Cc1cc(=O)[nH]c(=O)[nH]1

化学属性

Mol. FormulaC5H6N2O2
Mol. Weight126.11
Density1.226
Melting Point318°C
TSCAYes
Solubility7 G/L (22 ºC)
Appearance 无色结晶。熔点311-312℃,也有报道270-280℃(分解)。溶于水、热乙醇和碱溶液,微溶于乙醚。水溶液的pH值为13。
Stability对湿度敏感
Boiling Point420.4°C at 760 mmHg

别名和识别编码

Chemical Name6-Methyluracil
CAS Number626-48-2
Alfabeta NameMETHYLPYRIMIDINEDIONE HH62413()---,,
MDL NumberMFCD00006028
Synonym 6-Methyluracil {LY} 6-Methyluracil {} {LY} 6-Methyluracil {} {} {LY} 6-Methyluracil {} {} {} {LY} 6-Methyluracil {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Methyluracil {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number210-949-4
Beilstein Registry Number115647
PubChem Substance ID12283
Merck Number6133
Reaxys-RN115647
Chemical Name Translation6-甲基脲嘧啶
Wiswesser Line NotationT6MVMVJ F1
LabNetwork Molecule IDLN00141258
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
Canonical SMILESO=C1NC(C=C(C)N1)=O
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分类

  • Bases & Related Reagents
  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • Nucleotides
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; 1fragment

产品应用

  • 生化研究。

相关文献及参考

  • [2]. Taran IP, et, al. [The antiradiation action of 6-methyluracil]. Radiobiologiia. Mar-Apr 1993;33(2):285-90.
  • Merck: 14,6133
  • Merck: 14,6133 Beilstein:24,342
  • Short: EINECS
  • Short: III/20a
  • Short: IV/20C
  • [1]. Cromby CH, et, al. 6-Methyluracil excretion in 2-methylacetoacetyl-CoA thiolase deficiency and in two children with an unexplained recurrent ketoacidaemia. J Inherit Metab Dis. 1994;17(1):81-4.
  • [1]. Cromby CH, et, al. 6-Methyluracil excretion in 2-methylacetoacetyl-CoA thiolase deficiency and in two children with an unexplained recurrent ketoacidaemia. J Inherit Metab Dis. 1994;17(1):81-4.
  • [2]. Taran IP, et, al. [The antiradiation action of 6-methyluracil]. Radiobiologiia. Mar-Apr 1993;33(2):285-90.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
RTECSYR0700000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Packing GroupII
Hazard Class8
UN Number 1759
Storage condition 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 18 gm/kg/52W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   VOONAW Voprosy Onkologii.  Problems of Oncology.  For English translation,
   see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-10,
   1928-37; V.1-    1955-  Volume(issue)/page/year: 8(10),49,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 48,186,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 27,112,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >7500 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 64500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland
   Volume(issue)/page/year: 03FEB1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2 gm/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   BEXBAN Bulletin of Experimental Biology and Medicine (English Translation).
   Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.41-    1956-  Volume(issue)/page/year: 66,1382,1968

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 20 mg/kg
SEX/DURATION            : female 4 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   JSICAZ Journal of Scientific and Industrial Research, Section C: Biological
   Sciences.  (New Delhi, India)  V.14-21, 1955-62.  For publisher information,
   see IJEBA6.  Volume(issue)/page/year: 19,264,1960

其他信息

  • Sigma Aldrich:626-48-2(sigmaaldrich)
  • 方法一:由尿素与乙酰乙酸乙酯缩合,再经环合而得。
  • MOL 文件:626-48-2.mol
  • 海关编码:29335995
  • 用途二:用于有机合成及生化研究工作。该品是药物潘生丁的中间体。
  • Alfa Aesar:6-甲基尿嘧啶,97% 6-Methyluracil, 97%(626-48-2)
  • 水溶液pH13。300℃以上分解。最大吸收波长277nm(logε3.83)。
  • 上游原料:尿素 --> 乙酰乙酸甲酯
  • 图谱信息:2,4-二羟基-6-甲基嘧啶(626-48-2)核磁图( 1 HNMR) 2,4-二羟基-6-甲基嘧啶(626-48-2)质谱(MS) 2,4-二羟基-6-甲基嘧啶(626-48-2)红外图谱(IR2) 2,4-二羟基-6-甲基嘧啶(626-48-2)红外图谱(IR1)
  • MSDS 信息:2,4-Dihydroxy-6-methylpyrimidine(626-48-2).msds
  • TCI Shanghai:6-甲基脲嘧啶 6-Methyluracil,>;98.0%(T)(626-48-2)
  • 2,4-二羟基-6-甲基嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0454 6-甲基脲嘧啶 6-Methyluracil 500G 1590元 2014/06/02 M0454 6-甲基脲嘧啶 6-Methyluracil 25G 169元 2010/06/21 114981000 2,4-二羟基-6-甲基嘧啶 2,4-Dihydroxy-6-methylpyrimidine 97% 100 GR 282元
  • Acros Organics:2,4-二羟基-6-甲基嘧啶 2,4-Dihydroxy-6-methylpyrimidine, 97%(626-48-2)
  • 2,4-二羟基-6-甲基嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 M0454 6-甲基脲嘧啶 6-Methyluracil 500G 1720元 2011/04/16 M0454 6-甲基脲嘧啶 6-Methyluracil 25G 182元 2010/06/21 114981000 2,4-二羟基-6-甲基嘧啶 2,4-Dihydroxy-6-methylpyrimidine 97% 100 GR 282元
  • 检测方法:HPLC,NMR
  • 用途一:用于医药工业,主要用于心血管药物潘生丁的合成
  • 下游产品:乳清酸 --> 2,4-二羟基-6-甲基-5-硝基嘧啶 --> 6-甲基-4-(二甲氨基)-2-氯嘧啶 --> 2,4-二氯-5-硝基-6-甲基嘧啶 --> 乳清酸钾 --> 6-羰基-2,4-二氢嘧啶一钠盐 --> 6-甲酰尿嘧啶

系列性分类


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