CAS 605-99-2

3-Methyluric acid

Description:

3-Methyluric acid, with the CAS number 605-99-2, is a derivative of uric acid characterized by the presence of a methyl group at the 3-position of the uric acid structure. This compound is classified as a purine derivative and is part of the broader category of nucleobases and their metabolites. It is typically a white to off-white crystalline solid, soluble in water and polar organic solvents, reflecting its polar functional groups. The molecular formula of 3-methyluric acid indicates the presence of carbon, hydrogen, nitrogen, and oxygen atoms, which contribute to its acidic properties. As a metabolite, it may play a role in various biochemical pathways, particularly in the metabolism of purines. Its biological significance and potential applications in research or medicine are areas of ongoing investigation. Additionally, like other uric acid derivatives, it may be studied for its implications in conditions related to purine metabolism, such as gout or kidney stones.

Formula: C₆H₆N₄O₃

InChI: InChI=1/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)

InChI key: InChIKey=ODCYDGXXCHTFIR-UHFFFAOYSA-N

SMILES: CN1C2=C(C(=O)NC1=O)NC(=O)N2

Synonyms:

• 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3-methyl-
• 3-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
• 4,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione
• 7,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione
• N³-Methyluric acid
• Uric acid, 3-methyl-
• 3-Methyluric acid
• N3-Methyluric acid
• 3-methyl-7,9-dihydropurine-2,6,8-trione

3-Methyluric Acid

CAS: 605-99-2

Formula: C₆H₆N₄O₃

Molecular weight: 182.14

Ref: 4Z-U-015003

3-Methyluric Acid

CAS: 605-99-2

Applications 3-Methyluric Acid is a methylated derivative of uric acid that inhibits peroxynitrite-mediated oxidation, which has potential therapeutic application in the treatment of multiple sclerosis. 3-Methyluric Acid is also a known metabolite of Caffeine (C080100).
References Kean, R.B. et al.: J. Immunol., 165, 6511 (2000); Caubet, M.-S. et al.: J. Pharm. Biomed. Anal., 27, 261 (2002);

Formula: C₆H₆N₄O₃

Color and Shape: Light Yellow

Molecular weight: 182.14

Ref: TR-M338195

3-Methyluric Acid-d3

Controlled Product

CAS: 605-99-2

Formula: C₆D₃H₃N₄O₃

Color and Shape: Off-White

Molecular weight: 185.155

Ref: TR-M338197