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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

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About This Item

Empirical Formula (Hill Notation):
C21H21N4O7PNa2 · xH2O
CAS Number:
261717-23-1
Molecular Weight:
518.37 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
329817975
UNSPSC Code:
12352200
MDL number:
MFCD11046008
Assay:
≥98% (HPLC)
Form:
solid
Storage condition:
protect from light
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Quality Segment

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

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 A2A adenosine receptor antagonist prodrug.

Disclaimer

Photosensitive and air sensitive

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Gloves, type N95 (US)

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