1-Methyl Xanthine 1-甲基黄嘌呤

CAS 6136-37-4 MFCD00005561

化学结构图

6136-37-4
SMILES: Cn1c(=O)[nH]c2[nH]cnc2c1=O

化学属性

Mol. FormulaC6H6N4O2
Mol. Weight166.14
Density1.422
Melting Point≥300°C

别名和识别编码

Chemical Name1-Methyl Xanthine
MDL NumberMFCD00005561
CAS Number6136-37-4
EC Number228-108-5
Beilstein Registry Number171507
Synonym 1-Methylxanthine {LY} 1-Methylxanthine {} {LY} 1-Methylxanthine {} {} {LY} 1-Methylxanthine {} {} {} {LY} 1-Methylxanthine {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methy
PubChem Substance ID253660234
Chemical Name Translation1-甲基黄嘌呤
Reaxys-RN171507
Wiswesser Line NotationT56 BM DN FMVNVJ H1
LabNetwork Molecule IDLN00219810
Canonical SMILESO=C(N1C)NC2=C(N=CN2)C1=O
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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} Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, M, Purines

相关文献及参考

  • [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74.
  • [1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203.
  • [1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203.
  • [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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
Precautionary statements
  • 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
RTECSZD8575000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 510 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   24,393,1973

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • MOL 文件:6136-37-4.mol
  • Sigma Aldrich:6136-37-4(sigmaaldrich)
  • 检测方法:HPLC
  • 上游原料:氢氧化钠 --> 乙酸 --> 钠 --> N,N-二甲基甲酰胺 --> 亚硝酸钠 --> 硫酸二甲酯 --> 对甲苯磺酸 --> 原甲酸三乙酯 --> 氰乙酸乙酯 --> 硫脲 --> 醋酸钠 --> 氢氧化钯

系列性分类

  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. Purines 嘌呤
  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. Purines 嘌呤
  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. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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