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Merck
CN

41761

1,7-Dimethylxanthine

≥97.0% (HPLC)

Synonym(s):

1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, 2,6-Dihydroxy-1,7-dimethylpurine, NSC 400018, Paraxanthine

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
Molecular Weight:
180.16
EC Number:
210-271-9
UNSPSC Code:
41106305
MDL number:
Beilstein/REAXYS Number:
197907
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agency

EPA 1694

assay

≥97.0% (HPLC)

mp

294-296 °C

application(s)

environmental

SMILES string

CN1C(=O)Nc2ncn(C)c2C1=O

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

InChI key

QUNWUDVFRNGTCO-UHFFFAOYSA-N

Application

Ligand for the adenosine receptor

Regulatory Information

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Liesbeth Geraets et al.
European journal of pharmacology, 629(1-3), 132-139 (2009-12-08)
The nuclear enzyme poly(ADP-ribose) polymerse-1 (PARP-1) has previously been reported to play an important role in lipopolysaccharide (LPS)-induced pulmonary inflammation and is highly activated in COPD patients. In the present study, the anti-inflammatory efficacy of a previously identified poly(ADP-ribose) polymerase-1
Rebeca Pinhancos et al.
Journal of mass spectrometry : JMS, 46(11), 1175-1181 (2011-11-30)
The presence of pharmaceuticals in drinking water is an emerging environmental concern. In most environmental testing laboratories, LC-MS/MS assays based on selected reaction monitoring are used as part of a battery of tests used to assure water quality. Although LC-MS/MS
Lisbeth E Gómez-Martínez
Archives of environmental contamination and toxicology, 60(4), 654-664 (2010-07-30)
The reproductive and developmental toxicities of caffeine (CA) reported in mammals have been linked with the characteristics of its kinetic disposition. Because undesirable reproductive effects in fish have also been reported, and considering that CA has been found worldwide at
Vidya Perera et al.
The Journal of pharmacy and pharmacology, 63(9), 1161-1168 (2011-08-11)
To investigate the utility of metrics of CYP1A2 activity using caffeine as a probe, and saliva and plasma sampling with or without a 24-h caffeine abstinence. This was a cross-over pharmacokinetic study in 30 healthy male subjects who received a
Liqing Wang et al.
Basic & clinical pharmacology & toxicology, 112(4), 257-263 (2012-11-22)
This study was designed to investigate the impact of cytochrome P450 (CYP) 1A2 polymorphisms on theophylline metabolism in a non-smoking healthy male Chinese population. Four polymorphisms CYP1A2 1C (G-3860A), G-3113A, CYP1A2 1F (C-163A) and CYP1A2 1B (C-5347T) were screened in

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