33868-03-0

Basic information

• Product Name: 1,7-DIMETHYLURIC ACID
• Synonyms: 1,7-DIMETHYL-2,6,8-TRIHYDROXYPURINE;1,7-DIMETHYLURIC ACID;7,9-dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trione;1,7-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione;1,7-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;1,7-Dimethyl-7H-purine-2,6,8(1H,3H,9H)-trione;Einecs 251-706-2;1,7-dimethylutic acid Solution, 100ppm
• CAS NO: 33868-03-0
• Molecular Formula: C₇H₈N₄O₃
• Molecular Weight: 196.16
• EINECS: 251-706-2
• Product Categories: Heterocyclic Compounds;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 33868-03-0.mol

Chemical Properties

• Melting Point: ≥300 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.63g/cm³
• Refractive Index: 1.675
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly, Heated)
• BRN: 219682
• CAS DataBase Reference: 1,7-DIMETHYLURIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,7-DIMETHYLURIC ACID(33868-03-0)
• EPA Substance Registry System: 1,7-DIMETHYLURIC ACID(33868-03-0)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 33868-03-0(Hazardous Substances Data)

Usage

Uses

Used in Caffeine Metabolism Analysis:
1,7-Dimethyluric acid is used as a biomarker for caffeine consumption, helping to analyze and monitor caffeine intake levels in individuals.
Used in Pharmaceutical Industry:
1,7-Dimethyluric acid is used as a suitable reagent for the simultaneous determination of plasma levels of theophylline and its metabolites without interference from caffeine or caffeine metabolites by High-Performance Liquid Chromatography (HPLC). This application aids in the accurate assessment of theophylline levels in patients undergoing treatment with this medication.

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

Upstream product

• 856067-52-2 2-methoxy-1,7-dimethyl-7,9-dihydro-1H-purine-6,8-dione 
• 854883-83-3 5-acetoxy-9-acetyl-4-chloro-4,5-dihydrouric acid 
• 856067-53-3 9-acetyl-2-methoxy-1,7-dimethyl-7,9-dihydro-1H-purine-6,8-dione 
• 872283-38-0 4,5-diethoxy-1,7-dimethyl-tetrahydro-purine-2,6,8-trione 
• 91674-14-5 5-chloro-1,7-dimethyl-5,7-dihydro-3H-purine-2,6,8-trione 
• 872283-66-4 4,5-dimethoxy-1,7-dimethyl-tetrahydro-purine-2,6,8-trione 
• 10034-85-2 hydrogen iodide 
• 2757-83-7 1-methylalloxan 
• 598-50-5 N-Methylurea 
• 7647-01-0 hydrogenchloride 
• 872282-52-5 N-(5-methoxy-1-methyl-2,4,6-trioxo-hexahydro-pyrimidin-5-yl)-N-methyl-urea 
• 611-59-6 paraxanthine 

Downstream Products

• 5415-44-1 1,3,7-trimethyluric acid 
• 5472-54-8 8-chloro-1,7-dimethyl-1H-purine-2,6(3H,7H)-dione 
• 2757-83-7 1-methylalloxan 
• 598-50-5 N-Methylurea 
• 569-34-6 8-methoxycaffeine 

Relevant articles and documents

Highly efficient C-8 oxidation of substituted xanthines with substitution at the 1-, 3-, and 7- Positions using biocatalysts

A bacterial consortium consisting of strains belonging to the genus Klebsiella and Rhodococcus quantitatively converts 1-, 3- and 7-substituted xanthines to their respective 8-oxo compounds.