CAS 26351-04-2

3,7-Dihydro-1,3-dimethyl-7-(methyl-d3)-1H-purine-2,6-dione

Description:

3,7-Dihydro-1,3-dimethyl-7-(methyl-d3)-1H-purine-2,6-dione, with the CAS number 26351-04-2, is a purine derivative that exhibits characteristics typical of compounds in this class. It features a bicyclic structure composed of a fused imidazole and pyrimidine ring, which is characteristic of purines. The presence of methyl groups at the 1 and 3 positions, along with a deuterated methyl group at the 7 position, indicates that this compound is a methylated derivative, which can influence its biological activity and solubility. This compound is likely to be a white to off-white solid, soluble in polar organic solvents, and may exhibit moderate stability under standard conditions. Its structural modifications suggest potential applications in biochemical research, particularly in studies related to nucleic acids or as a precursor in the synthesis of other biologically active molecules. As with many purine derivatives, it may also interact with various biological targets, making it of interest in pharmacological studies.

Formula: C₈H₇D₃N₄O₂

InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3

InChI key: InChIKey=RYYVLZVUVIJVGH-FIBGUPNXSA-N

SMILES: O=C1C2=C(N(C)C(=O)N1C)N=CN2C([2H])([2H])[2H]

Synonyms:

• 1,3-Dimethyl-7-(trideuteriomethyl)purine-2,6-dione
• 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-d₃)-
• 3,7-Dihydro-1,3-dimethyl-7-(methyl-d₃)-1H-purine-2,6-dione
• 7,7,7-Caffeine-d3
• 7,7,7-Caffeine-d₃
• 7-Trideuteromethyl-1,3-dimethylxanthine
• Caffeine-a7,a7,a7-d3 (8CI)
• Caffeine-α⁷,α⁷,α⁷-d₃
• 3,7-Dihydro-1,3-dimethyl-7-(methyl-d3)-1H-purine-2,6-dione
• 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-d3)-
• Caffeine-α7,α7,α7-d3

Caffeine-d3 (Pentoxifylline EP Impurity F-d3, Theophylline EP Impurity A-d3, Theophylline-Ethylenediamine EP Impurity A-d3)

CAS: 26351-04-2

Formula: C₈H₇D₃N₄O₂

Color and Shape: White To Off-White Solid

Molecular weight: 197.21

Ref: 4Z-C-182

Caffeine-d3 (7-methyl-d3)

CAS: 26351-04-2

Purity: 99 atom % D

Color and Shape: White Solid

Molecular weight: 197.21

Ref: 3U-D5913

Caffeine-d3 (7-methyl-d3)

Controlled Product

CAS: 26351-04-2

Applications Caffeine-d3 (7-methyl-d3) (CAS# 26351-04-2) is a useful isotopically labeled research compound.

Formula: C₈D₃H₇N₄O₂

Color and Shape: White To Off-White

Molecular weight: 197.209

Ref: TR-C801021

Caffeine d3

Controlled Product

CAS: 26351-04-2

Caffeine-d3 is a derivative of caffeine that can be used to identify the blood type of an individual. Caffeine-d3 functions as a competitive substrate for caffeine, displacing it from its binding site on the adenosine receptor. This displacement allows for the measurement of the concentration of caffeine and other xanthines in the sample. The displacement can be monitored by UV absorption at 253 nm, which changes proportionately with concentration. Theophylline and hydroxyzine also bind to this site and can be used as markers for caffeine-d3. Caffeine-d3 is prepared by adding d(-)caffeine to dimethylformamide, which is then heated until all solids have dissolved. The solution is cooled and diluted with water or ethanol before being placed on a plate and analyzed using a spectrometer or spectrophotometer.

Formula: C₈H₇D₃N₄O₂

Purity: Min. 95%

Molecular weight: 197.21 g/mol

Ref: 3D-BBA35104

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-d3)-

CAS: 26351-04-2

Formula: C₈H₇D₃N₄O₂

Color and Shape: Solid

Molecular weight: 197.2091

Ref: IN-DA002SVG