Description
A 3-methylxanthine tautomer where the imidazole proton is located at the 9-position.
Chemical properties
| Chemical formula | Net charge | Average mass |
|---|---|---|
| C6H6N4O2 | 0 | 166.13740 |
Nomenclature
| IUPAC | SMILES | InChI | InChIKey | Synonyms |
|---|---|---|---|---|
| 3-methyl-3,9-dihydro-1H-purine-2,6-dione | Cn1c2[nH]cnc2c(=O)[nH]c1=O | InChI=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) | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
|
Citations
- Apichartpichean, R, et al. 1991. Structure-pharmacokinetic relationships among the N1,N3-alkylxanthines in rats. The Journal of Pharmacy and Pharmacology. 43(4).
- Kokufu, T, et al. 1995. Effects of lansoprazole on pharmacokinetics and metabolism of theophylline. European Journal of Clinical Pharmacology. 48(5).
- Lindsay, BS, et al. 1999. 6-Methoxy-7-methyl-8-oxoguanine, an unusual purine from the ascidian Symplegma rubra. Journal of Natural Products. 62(11).
- Miyamoto, K, et al. 1989. Correlation between hydrophobicity of N-alkylxanthine derivatives and their biological activities on guinea-pig isolated tracheal smooth muscle. The Journal of Pharmacy and Pharmacology. 41(12).
- Murray, S, et al. 2001. Inhibition of human CYP1A2 activity in vitro by methylxanthines: potent competitive inhibition by 8-phenyltheophylline. Xenobiotica; the Fate of Foreign Compounds in Biological Systems. 31(3).
- Naguib, FN, et al. 1995. Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. Biochemical Pharmacology. 50(10).
- Zhang, ZY, et al. 1995. Characterization of human cytochromes P450 involved in theophylline 8-hydroxylation. Biochemical Pharmacology. 50(2).