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Merck

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:
1076-22-8
Molecular Weight:
166.14
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24853339
EC Number:
214-058-1
Beilstein/REAXYS Number:
180944
MDL number:
MFCD00005580

Key Documents

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Product Name

3-Methylxanthine, 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

200

Gene Information

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

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This Item
1653026705357
3-Methylxanthine 98%

Sigma-Aldrich

222526

3-Methylxanthine

Theophylline Related Compound B United States Pharmacopeia (USP) Reference Standard

USP

1653026

Theophylline Related Compound B

3,7-Dimethylxanthine-(dimethyl-d6) 98 atom % D, 98% (CP)

Sigma-Aldrich

705357

3,7-Dimethylxanthine-(dimethyl-d6)

assay

98%

assay

-

assay

98% (CP)

Quality Level

200

Quality Level

-

Quality Level

200

mp

>300 °C (lit.)

mp

>300 °C (lit.)

mp

345 °C

Gene Information

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

Gene Information

-

Gene Information

-

General description

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method[1].

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX2321
MKCV2035
MKCR3433
MKCN8804
MKCM5002

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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
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
View All Related Papers

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