CAS 261717-23-1

1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2)

Description:

1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2), with CAS number 261717-23-1, is a complex organic compound characterized by its purine base structure, which is a key component in various biological processes, including nucleic acid metabolism. This compound features multiple functional groups, including a methoxyphenyl group and a phosphonooxy group, which may contribute to its biological activity and solubility properties. The presence of a sodium salt form indicates enhanced solubility in aqueous environments, making it potentially useful in pharmaceutical applications. Its structural modifications suggest potential roles in medicinal chemistry, possibly as an inhibitor or modulator of specific biological pathways. The compound's unique arrangement of substituents may influence its interaction with biological targets, making it a subject of interest for further research in drug development and therapeutic applications.

Formula: C₂₁H₂₃N₄O₇P·2Na

InChI: InChI=1S/C21H23N4O7P.2Na/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3;;/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30);;/b10-9+;;

InChI key: InChIKey=QXYBLALEZQKWDR-TTWKNDKESA-N

SMILES: C(CCOP(=O)(O)O)N1C2=C(C(=O)N(CC#C)C1=O)N(C)C(/C=C/C3=CC(OC)=CC=C3)=N2.[Na]

Synonyms:

• 1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propynyl)-, disodium salt
• 1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2)
• MSX 3

MSX-3

CAS: 261717-23-1

MSX-3 is an antagonist of the A2A adenosine receptor and a prodrug of MSX-2.

Formula: C₂₁H₂₃N₄Na₂O₇P

Purity: 98%

Color and Shape: Solid

Molecular weight: 520.389

Ref: TM-T25841