1-Methyl-1H-purine-2,6(3H,7H)-dione 3,7-二氢-1-甲基-1H-嘌呤-2,6-二酮
CAS 6136-37-4 MFCD00005561
化学结构图
SMILES: Cn1c(=O)[nH]c2[nH]cnc2c1=O
化学属性
| Mol. Formula | C6H6N4O2 |
|---|---|
| Mol. Weight | 166.14 |
| Density | 1.422 |
| Melting Point | ≥300°C |
别名和识别编码
| Chemical Name | 1-Methyl-1H-purine-2,6(3H,7H)-dione |
|---|---|
| MDL Number | MFCD00005561 |
| CAS Number | 6136-37-4 |
| EC Number | 228-108-5 |
| Beilstein Registry Number | 171507 |
| 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| PubChem Substance ID | 253660234 |
| Chemical Name Translation | 3,7-二氢-1-甲基-1H-嘌呤-2,6-二酮 |
| Reaxys-RN | 171507 |
| Wiswesser Line Notation | T56 BM DN FMVNVJ H1 |
| LabNetwork Molecule ID | LN00219810 |
| Canonical SMILES | O=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
GHS Symbol
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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
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
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
