13087-49-5 Usage
Description
3,7-Dimethyluric acid (3,7-DMU, 3,7-Dimethyl-2,6,8-trihydroxypurine) is a purine derivative and a dimethylated uric acid. It features a pyrimidine ring fused to an imidazole ring and is known as a caffeine metabolite that is eliminated through urine. The mechanism of its transformation from theobromine in rat liver microsomal incubations has been investigated.
Uses
Used in Metabolism Studies:
3,7-Dimethyluric acid is used as a biomarker in the study of caffeine metabolism, particularly in understanding the metabolic pathways and elimination processes of caffeine in the body.
Used in Pharmaceutical Research:
As a purine derivative, 3,7-Dimethyluric acid may be utilized in pharmaceutical research for the development of new drugs targeting purine-related metabolic pathways or conditions.
Used in Toxicology and Drug Testing:
3,7-Dimethyluric acid can be employed as a reference compound in toxicology and drug testing to monitor caffeine consumption and its metabolites in various biological samples.
Used in Analytical Chemistry:
3,7-Dimethyluric acid may serve as a standard or reference material in analytical chemistry for the development and validation of methods for the detection and quantification of caffeine metabolites in urine or other biological matrices.
Used in Environmental Science:
In environmental science, 3,7-Dimethyluric acid could be used to study the presence and impact of caffeine and its metabolites in water systems, contributing to the understanding of micropollutants and their ecological effects.
Check Digit Verification of cas no
The CAS Registry Mumber 13087-49-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,8 and 7 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 13087-49:
(7*1)+(6*3)+(5*0)+(4*8)+(3*7)+(2*4)+(1*9)=95
95 % 10 = 5
So 13087-49-5 is a valid CAS Registry Number.
InChI:InChI=1/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)
13087-49-5Relevant articles and documents
Br?nsted acid catalysis in the oxidation of purine based alkaloids by Mn(VII) in aqueous acetonitrile and sodium fluoride medium: A kinetic approach
Ramakrishna Reddy,Muddam, Bhooshan,Sambashiva Rao,Rajanna,Panasa Reddy,Thirumala Chary
, p. 1051 - 1057 (2021/05/10)
Br?nsted acid (HClO4, H2SO4) catalyzed Mn(VII) oxidation of purine alkaloids such as caffeine, theophylline and theobromine in aqueous acetonitrile and sodium fluoride medium revealed first order kinetics in both [(Mn(VII)] and [Alkaloid] at constant acidity and temperature. Sodium fluoride was added to the reaction mixture in order to avoid/suppress auto catalytic reaction due to the generation of Mn(III) and Mn(IV) species during the course of Mn(VII) oxidations in acidic solutions. An increase in the Br?nsted acids (HClO4, H2SO4) concentration accelerated the rate of oxidation. Rate enhancements observed here in are analyzed by Zucker-Hammett, Bunnett and Bunnett-Olsen criteria of acidity functions. On the basis of observed Bunnett-Olsen criteria of acidity functions, the most plausible mechanism has been proposed with the involvement of water molecule in the slow step (as proton transferring agent).
