CAS 149981-21-5

3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

Description:

3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine, with the CAS number 149981-21-5, is a synthetic compound belonging to the xanthine class of molecules, which are known for their role as purine derivatives. This substance features a xanthine core structure, characterized by a fused bicyclic ring system containing nitrogen atoms. The presence of dimethyl groups at the 3 and 7 positions contributes to its lipophilicity, potentially influencing its biological activity and solubility. The sulfonamide group attached to the phenyl ring at the 8 position suggests potential interactions with biological targets, possibly related to enzyme inhibition or modulation. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the context of developing therapeutic agents. Its specific characteristics, such as melting point, solubility, and biological activity, would depend on its molecular interactions and the presence of functional groups, which can significantly affect its behavior in biological systems. Further studies would be necessary to elucidate its full profile and potential applications.

Formula: C₁₃H₁₃N₅O₄S

InChI: InChI=1/C13H13N5O4S/c1-17-9-11(18(2)13(20)16-12(9)19)15-10(17)7-3-5-8(6-4-7)23(14,21)22/h3-6H,1-2H3,(H2,14,21,22)(H,16,19,20)

InChI key: InChIKey=DDFVXPNYCNTGTD-UHFFFAOYSA-N

SMILES: CN1C2=C(N(C)C(=N2)C3=CC=C(S(N)(=O)=O)C=C3)C(=O)NC1=O

Synonyms:

• 4-(2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonamide
• 4-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide
• Benzenesulfonamide, 4-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)-

3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

CAS: 149981-21-5

Formula: C₁₃H₁₃N₅O₄S

Color and Shape: Solid

Molecular weight: 335.3384

Ref: IN-DA001M6N

3,7-Dimethyl-8-(p-sulfonamidophenyl)xanthine

Controlled Product

CAS: 149981-21-5

Applications A weak water soluble A2 -adenosine receptor antagonist. UV lmax (log e, MeOH): 203 nm (4.45), 239 nm (4.34), 301 nm (4.26).
References J. Med. Chem., 38, 2639 (1993); Biochem. Biophys. Res. Commun., 198, 626 (1994)

Formula: C₁₃H₁₃N₅O₄S

Color and Shape: Neat

Molecular weight: 335.34

Ref: TR-D479310