222526
3-Methylxanthine
98%
Synonym(s):
2,6-Dihydroxy-3-methylpurine
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About This Item
Empirical Formula (Hill Notation):
C6H6N4O2
CAS Number:
Molecular Weight:
166.14
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-058-1
Beilstein/REAXYS Number:
180944
MDL number:
Assay:
98%
InChI key
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)
SMILES string
CN1C(=O)NC(=O)c2[nH]cnc12
assay
98%
mp
>300 °C (lit.)
Quality Level
Gene Information
rat ... Adora1(29290), Adora2a(25369)
General description
3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.
Storage Class
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Binxing Zhou et al.
Journal of food science, 85(2), 477-485 (2020-01-07)
Natural microorganisms involved in solid-state fermentation (SSF) of Pu-erh tea have a significant impact on its chemical components. Aspergillus sydowii is a fungus with a high caffeine-degrading capacity. In this work, A. sydowii was inoculated into sun-dried green tea leaves
Shawn K Desai et al.
Journal of the American Chemical Society, 126(41), 13247-13254 (2004-10-14)
Genetic selection provides the most powerful method to assay large libraries of biomolecules for function. However, harnessing the power of genetic selection for the detection of specific, nonendogenous small-molecule targets in vivo remains a significant challenge. The ability to genetically
K Ueno et al.
DICP : the annals of pharmacotherapy, 25(7-8), 727-730 (1991-07-01)
The mechanism of an interaction between theophylline and mexiletine hydrochloride was investigated in 6 male inpatients coadministered both drugs and 16 inpatients (13 men, 3 women) administered theophylline only. Serum theophylline and mexiletine concentrations and urinary concentrations of theophylline and
G A Soukup et al.
Journal of molecular biology, 298(4), 623-632 (2000-05-02)
In a continuing effort to explore structural and functional dynamics in RNA catalysis, we have created a series of allosteric hammerhead ribozymes that are activated by theophylline. Representative ribozymes exhibit greater than 3000-fold activation upon effector-binding and cleave with maximum
M Sarkar et al.
Antimicrobial agents and chemotherapy, 34(4), 594-599 (1990-04-01)
Some quinolone antibiotics cause increases in levels of theophylline in plasma that lead to serious adverse effects. We investigated the mechanism of this interaction by developing an in vitro system of human liver microsomes. Theophylline (1,3-dimethylxanthine) was incubated with human
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