CAS 5614-56-2

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid

Description:

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid, with the CAS number 5614-56-2, is a purine derivative characterized by its unique bicyclic structure, which includes a fused imidazole and pyrimidine ring. This compound features two keto groups at the 2 and 6 positions, contributing to its dioxo functionality, and a carboxylic acid group at the 1-position, which enhances its solubility in polar solvents. The presence of methyl groups at the 3 and 7 positions influences its steric and electronic properties, potentially affecting its biological activity. This compound may exhibit various pharmacological effects, as many purine derivatives are known to play roles in cellular processes, including energy transfer and signal transduction. Its structural characteristics suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents targeting purine metabolism or related pathways. However, specific biological activities and applications would require further investigation through empirical studies.

Formula: C₉H₁₀N₄O₄

InChI: InChI=1/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)/p-1

InChI key: InChIKey=YCTSCXLOPJCPDH-UHFFFAOYSA-N

SMILES: O=C1C2=C(N(C)C(=O)N1CC(O)=O)N=CN2C

Synonyms:

• (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
• (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
• 1-Theobromineacetic acid
• 1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
• 2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
• 2-(3,7-Dimethyl-2,6-dioxopurin-1-yl)acetic acid
• 3,7-Dimethylxanthine-1-methanecarboxylic acid
• Purine-1(2H)-acetic acid, 3,6-dihydro-3,7-dimethyl-2,6-dioxo-
• 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
• 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
• Einecs 227-034-0

2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid

Controlled Product

CAS: 5614-56-2

2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid is a molecule used in various industries. It is an organic solvent that can be used to deodorize and clean surfaces. This compound is also used as a diagnostic agent for animal health. 2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-- 1yl)acetic acid has been shown to have carboxylic acid group properties. It can be found in the leaves of marrubium and caffeic acid.

Formula: C₉H₁₀N₄O₄

Purity: Min. 95%

Molecular weight: 238.2 g/mol

Ref: 3D-FAA61456