M3568

MSX-3 hydrate

≥98% (HPLC), solid

• Synonym(s): 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 hydrate
• Empirical Formula (Hill Notation): C₂₁H₂₁N₄O₇PNa₂ · xH₂O
• CAS Number: 261717-23-1
• Molecular Weight: 518.37 (anhydrous basis)
• MDL number: MFCD11046008
• UNSPSC Code: 12352200
• PubChem Substance ID: 329817975
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: solid
• storage condition: protect from light
• color: pale yellow
• solubility: H₂O: soluble >5 mg/mL at 60 °C
• storage temp.: −20°C
• SMILES string: O.[Na+].[Na+].COc1cccc(\C=C\c2nc3N(CCCOP([O-])([O-])=O)C(=O)N(CC#C)C(=O)c3n2C)c1
• InChI: 1S/C21H23N4O7P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/b10-9+;;;
• InChI key: FANGYFUIIWHEAQ-WCVSPGPUSA-L

Description

General description

Soluble with gradual warming to temperature for 10 minutes. Solution might appear slightly unclear when it is freshly made.

Biochem/physiol Actions

Selective A_2A adenosine receptor antagonist prodrug.

Caution

Photosensitive and air sensitive

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves