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Merck
CN

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%
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Quality Level

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

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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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
Sang Won Lee et al.
Biochemistry, 49(13), 2943-2951 (2010-03-11)
RNAs often exhibit a high degree of conformational dynamics and heterogeneity, leading to a rugged energy landscape. However, the roles of conformational heterogeneity and rapid dynamics in molecular recognition or RNA function have not been extensively elucidated. Ultrafast time-resolved fluorescence
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



Global Trade Item Number

SKUGTIN
222526-1G04061826661802
222526-250MG04061838778055