MSX-3

Name: MSX-3
CAS#: 261717-23-1
Chemical Formula: C21H21N4Na2O7P
Exact Mass:
Molecular Weight: 518.37
Elemental Analysis: C, 48.66; H, 4.08; N, 10.81; Na, 8.87; O, 21.60; P, 5.98

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

IUPAC/Chemical Name: 3,7-Dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propynyl)-1H-purine-2,6-dione Disodium Salt

InChi Key: ZYVZWCILYQDHNU-TTWKNDKESA-L

InChi Code: 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);;/q;2*+1/p-2/b10-9+;;

SMILES Code: O=C(N1CC#C)N(CCCOP([O-])([O-])=O)C2=C(N(C)C(/C=C/C3=CC=CC(OC)=C3)=N2)C1=O.[Na+].[Na+]

Appearance: Solid powder