Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.1374 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C2=C(N=CN2)C(=O)NC1=O
InChI
InChIKey=GMSNIKWWOQHZGF-UHFFFAOYSA-N
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)
PubMed
| Title | Date | PubMed |
|---|---|---|
| Determination of theophylline and its metabolites by liquid chromatography. | 1977 Dec |
|
| Theobromine kinetics and metabolic disposition. | 1983 Oct |
|
| Theophylline metabolism: variation and genetics. | 1984 Feb |
|
| Cystic fibrosis: enhanced theophylline metabolism may be linked to the disease. | 1988 Sep |
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| Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. | 1995 Nov 9 |
|
| Neurotoxic convulsions induced by theophylline and its metabolites in mice. | 1996 Jun |
|
| Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin. | 2001 Aug 15 |
|
| Structural basis for the binding affinity of xanthines with the DNA intercalator acridine orange. | 2001 Dec 20 |
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| Caffeine metabolism before and after liver transplantation. | 2001 Feb |
|
| Theophylline metabolism after cardiac surgery. | 2001 Feb |
|
| Determination of urinary methylated purine pattern by high-performance liquid chromatography. | 2001 Feb 10 |
|
| Caffeine metabolism in a group of 67 patients with primary biliary cirrhosis. | 2001 Jan |
|
| Dose dependent pharmacokinetics of theophylline: Michaelis-Menten parameters for its major metabolic pathways. | 2001 Jan-Jun |
|
| Group I aptazymes as genetic regulatory switches. | 2002 Dec 4 |
|
| Biosynthesis, accumulation and degradation of theobromine in developing Theobroma cacao fruits. | 2004 Apr |
|
| Catabolism of caffeine in plants and microorganisms. | 2004 May 1 |
|
| High-throughput liquid chromatography-tandem mass spectrometry assay for plasma theophylline and its metabolites. | 2004 Nov |
|
| Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples. | 2004 Oct |
|
| Genetic screens and selections for small molecules based on a synthetic riboswitch that activates protein translation. | 2004 Oct 20 |
|
| Theophylline pharmacokinetics: comparison of Cyp1a1(-/-) and Cyp1a2(-/-) knockout mice, humanized hCYP1A1_1A2 knock-in mice lacking either the mouse Cyp1a1 or Cyp1a2 gene, and Cyp1(+/+) wild-type mice. | 2005 Jul |
|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | 2005 Jun |
|
| Associations between CYP2E1 promoter polymorphisms and plasma 1,3-dimethyluric acid/theophylline ratios. | 2006 Aug |
|
| Towards the design of highly selective recognition sites into molecular imprinting polymers: a computational approach. | 2006 Jul 15 |
|
| Liver dysfunction markedly decreases the inhibition of cytochrome P450 1A2-mediated theophylline metabolism by fluvoxamine. | 2006 May |
|
| Theophylline and its metabolites produce a stimulating cholinergic effect on the small intestine and a nonadrenergic noncholinergic relaxing effect on the colon: a comparative study in the rabbit intestine. | 2007 Dec |
|
| Possible involvement of organic anion and cation transporters in renal excretion of xanthine derivatives, 3-methylxanthine and enprofylline. | 2007 Sep 22 |
|
| Anti-inflammatory effect of theophylline in rats and its involvement of the glucocorticoid-glucocorticoid receptor system. | 2008 Apr |
|
| A simple HPLC method for the quantification of mizoribine in human serum: pharmacokinetic applications. | 2008 Nov |
|
| Relaxing and contracting effects of theophylline's metabolites on the rabbit upper gastrointestinal tract. | 2008 Oct |
|
| Demethylation of theophylline (1,3-dimethylxanthine) to 1-methylxanthine: the first step of an antioxidising cascade. | 2010 |
|
| Ultrafast dynamics show that the theophylline and 3-methylxanthine aptamers employ a conformational capture mechanism for binding their ligands. | 2010 Apr 6 |
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70639
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C029703
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62208
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1076-22-8
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DTXSID90148107
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1653026
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214-058-1
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62207
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WS6X982OEC
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515466
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PARENT (METABOLITE ACTIVE)
PARENT (METABOLITE)
SUBSTANCE RECORD
