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40409

Sigma-Aldrich

3,7-Dimethyluric acid

≥95.0% (HPLC)

Sinônimo(s):

3,7-Dimethyl-2,6,8-trihydroxypurine

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About This Item

Fórmula empírica (Notação de Hill):
C7H8N4O3
Número CAS:
13087-49-5
Peso molecular:
196.16
Beilstein:
218966
Número MDL:
MFCD00042988
Código UNSPSC:
12352100
ID de substância PubChem:
57649990
NACRES:
NA.22

Ensaio

≥95.0% (HPLC)

pf

≥300 °C

cadeia de caracteres SMILES

CN1C(=O)NC(=O)C2=C1NC(=O)N2C

InChI

1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)

chave InChI

HMLZLHKHNBLLJD-UHFFFAOYSA-N

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Descrição geral

3,7-Dimethyluric acid (3,7-DMU,[1] 3,7-Dimethyl-2,6,8-trihydroxypurine), a purine derivative, is a dimethylated uric acid. It has a pyrimidine ring fused to an imidazole ring. Mechanism of the transformation of theobromine to 3,7-DMU in rat liver microsomal incubations has been investigated.[1]
3,7-Dimethyluric acid is a primary theobromine (TB; 3,7-dimethylxanthine) metabolite.[2] Electrochemical oxidation of 3,7-dimethyluric acid gives two voltammetric oxidation peaks (Ia and IIa) at a pyrolytic graphite electrode in aqueous solution.[3]

Embalagem

Bottomless glass bottle. Contents are inside inserted fused cone.

produto relacionado

Nº do produto
Descrição
Preços

Código de classe de armazenamento

13 - Non Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

Eyeshields, Gloves, type N95 (US)

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Certificados de análise (COA)

Lot/Batch Number
BCCG4697
BCCB9672
BCBZ7084
BCBW1073
BCBL9462V

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A Lelo et al.
Xenobiotica; the fate of foreign compounds in biological systems, 20(8), 823-833 (1990-08-01)
1. The involvement of glutathione (GSH) and cytochrome P-450 in the conversion of theobromine to 6-amino-5-(N-methylformylamino)-1-methyluracil (3,7-DAU) and 3,7-dimethyluric acid (3,7-DMU) has been investigated in rat liver microsomal incubations. 2. The ratio of formation of 3,7-DAU to 3,7-DMU increased with
Oxidation chemistry of 3, 7-dimethyluric acid: electrochemical and peroxidase-catalyzed mechanisms.
Chen TR and Dryhurst G.
J. Electroanal. Chem. Interfac. Electrochem., 177(1), 149-165 (1984)
Miquel Rojas-Cherto et al.
Analytical chemistry, 84(13), 5524-5534 (2012-05-23)
Multistage mass spectrometry (MS(n)) generating so-called spectral trees is a powerful tool in the annotation and structural elucidation of metabolites and is increasingly used in the area of accurate mass LC/MS-based metabolomics to identify unknown, but biologically relevant, compounds. As
S Gates et al.
British journal of clinical pharmacology, 47(3), 299-305 (1999-04-24)
The plasma clearance of theobromine (TB; 3,7-dimethylxanthine) is known to be induced in cigarette smokers. To determine whether TB may serve as a model substrate for cytochrome P450 (CYP) 1A2, or possibly other isoforms, studies were undertaken to identify the
Binxing Zhou et al.
BMC microbiology, 20(1), 269-269 (2020-08-29)
Methylxanthines, including caffeine, theobromine and theophylline, are natural and synthetic compounds in tea, which could be metabolized by certain kinds of bacteria and fungi. Previous studies confirmed that several microbial isolates from Pu-erh tea could degrade and convert caffeine and
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