3-Methylxanthine 3-甲基黄嘌呤

CAS 1076-22-8 MFCD00005580

化学结构图

1076-22-8
SMILES: Cn1c(=O)[nH]c(=O)c2nc[nH]c21

化学属性

Mol. FormulaC6
Mol. Weight166
Melting Point>300
TSCANo
Density1.422

别名和识别编码

Chemical Name3-Methylxanthine
CAS Number1076-22-8
Alfabeta NameMETHYLPURINEDIONE HHH312637()-----,,
MDL NumberMFCD00005580
Synonym 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl- 2,6-DIHYDROXY-3-METHYLPURINE 2,6-二羟基-3-甲基嘌呤 3,7-dihydro-3-methyl-1H-purine-2,6-dione 3,7-dihydro-3-methyl-1h-purine-6-dione 3,7-二氢-3-甲基-1H-嘌呤-2,6-二酮 3-METHYLXANTHINE 3-METHYLXANTHINE 98+% 3-METHYLXANTHINE CRYSTALLINE 3-METHYLXANTHINE XANTHINE DERIVATIVE 3-Methyl-3,7-dihydro-1H-purine-2,6-dione 3-Methyl-9H-purine-2,6(1H,3H)-dione 3-Methylxanthine 3-Methylxanthine; 3-Methyl-3,7-dihydro-1H-purine-2,6-dione 3-methyl-7H-purine-2,6-dione 3-methyl-xanthin 3-methylxanthine 3-methylxanthine, methyl-(13)C-labeled 3-methylxanthine, monopotassium salt 3-methylxanthine, monosodium salt 3-甲基黄嘌呤 3-甲基黄嘌呤, 98+% AKOS NCG-0058
PubChem Substance ID70639
Beilstein Registry Number180944
EC Number214-058-1
Reaxys-RN612099
Chemical Name Translation3-甲基黄嘌呤
Wiswesser Line NotationT56 BM DN FNVMVJ F1
LabNetwork Molecule IDLN00142237
InChIInChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
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分类

  • {SNA} Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, M, Purines, 细胞生物学
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Purines
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks,

相关文献及参考

  • [2]. Yamamoto K, et al. Neurotoxic convulsions induced by theophylline and its metabolites in mice. Biol Pharm Bull. 1996 Jun;19(6):869-72.
  • [1]. Tanaka H, et al. Inhibition of cyclic GMP phosphodiesterase by xanthine derivatives relaxes guinea-pig trachealis smooth muscle. Clin Exp Pharmacol Physiol. 1991 Mar;18(3):163-8.
  • [1]. Tanaka H, et al. Inhibition of cyclic GMP phosphodiesterase by xanthine derivatives relaxes guinea-pig trachealis smooth muscle. Clin Exp Pharmacol Physiol. 1991 Mar;18(3):163-8.
  • [2]. Yamamoto K, et al. Neurotoxic convulsions induced by theophylline and its metabolites in mice. Biol Pharm Bull. 1996 Jun;19(6):869-72.

安全信息

Warnings IRRITANT
WGK Germany1
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
RTECSZD8750000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P301+P312
  • P301+P317
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 43,305,1900

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 894 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 25,653,1990

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 43,305,1900

TYPE OF TEST            : LDLo - Lowest pu

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 20 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   AEXPBL Archiv fue

其他信息

  • Alfa Aesar:3-甲基黄嘌呤,98+% 3-Methylxanthine, 98+%(1076-22-8)
  • 上游原料:钠 --> N,N-二甲基甲酰胺 --> 亚硝酸钠 --> 对甲苯磺酸 --> 原甲酸三乙酯 --> 氰乙酸乙酯 --> 连二亚硫酸钠 --> N-甲基脲
  • 3-甲基黄嘌呤价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M2073 3-甲基黄嘌呤 3-Methylxanthine 5G 1100元 2014/06/02 M2073 3-甲基黄嘌呤 3-Methylxanthine 25G 3270元 2010/05/25 L14986 3-甲基黄嘌呤, 98+% 3-Methylxanthine, 98+% 250mg 725元
  • MOL 文件:1076-22-8.mol
  • Sigma Aldrich:1076-22-8(sigmaaldrich)

系列性分类


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