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222526

Sigma-Aldrich

3-Methylxanthine

98%

Synonym(s):

2,6-Dihydroxy-3-methylpurine

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About This Item

Empirical Formula (Hill Notation):
C6H6N4O2
CAS Number:
1076-22-8
Molecular Weight:
166.14
Beilstein:
180944
EC Number:
214-058-1
MDL number:
MFCD00005580
UNSPSC Code:
12352005
PubChem Substance ID:
24853339
NACRES:
NA.22

Quality Level

200

Assay

98%

mp

>300 °C (lit.)

SMILES string

CN1C(=O)NC(=O)c2[nH]cnc12

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)

InChI key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

Gene Information

rat ... Adora1(29290) , Adora2a(25369)

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General description

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

D5385

1,7-Dimethylxanthine

M C Rogge et al.
Clinical pharmacology and therapeutics, 46(4), 420-428 (1989-10-01)
The pharmacokinetics of theophylline and its three major metabolites, 3-methylxanthine, 1-methylurate, and 1,3-dimethylurate, were studied during intermittent administration of enoxacin. The addition of enoxacin (400 mg, twice daily) to a theophylline dosing regimen (150 mg, twice daily) resulted in an
Hira Sajjad Talpur et al.
Reproductive biology, 17(4), 380-388 (2017-11-04)
Melatonin receptor 1 (MT1) performs a critical role in the regulation of the animal reproductive system, particularly in follicular growth, and has a considerable effect on reproductive performance. However, the role that MT1 plays in regulating hormones associated with reproduction
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
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