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40409

Sigma-Aldrich

3,7-二甲基尿酸

≥95.0% (HPLC)

别名:

3,7-二甲基-2,6,8-三羟基嘌呤

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About This Item

经验公式（希尔记法）:
C7H8N4O3
CAS号:
13087-49-5
分子量:
196.16
Beilstein:
218966
MDL编号:
MFCD00042988
UNSPSC代码:
12352100
PubChem化学物质编号:
57649990
NACRES:
NA.22

方案

≥95.0% (HPLC)

mp

≥300 °C

SMILES字符串

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)

InChI key

HMLZLHKHNBLLJD-UHFFFAOYSA-N

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一般描述

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]

包装

Bottomless glass bottle. Contents are inside inserted fused cone.

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说明
价格

储存分类代码

13 - Non Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCG4697
BCCB9672
BCBZ7084
BCBW1073
BCBL9462V

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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
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
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
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
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