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Merck
CN

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

Key Documents

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Product Name

MSX-3 hydrate, ≥98% (HPLC), solid

InChI key

FANGYFUIIWHEAQ-WCVSPGPUSA-L

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+;;;

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

Quality Level

100

Biochem/physiol Actions

Selective A2A adenosine receptor antagonist prodrug.

Disclaimer

Photosensitive and air sensitive

General description

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
058K4606V
058K46061
058K4606
018K4607
097K4615

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Monique A Spillman et al.
Cancer research, 70(21), 8927-8936 (2010-10-21)
Menopausal estrogen (E2) replacement therapy increases the risk of estrogen receptor (ER)-positive epithelial ovarian cancers (EOC). Whether E2 is tumorigenic or promotes expansion of undiagnosed preexisting disease is unknown. To determine E2 effects on tumor promotion, we developed an intraperitoneal
W Hauber et al.
Neuroreport, 9(8), 1803-1806 (1998-07-17)
Motor effects mediated through adenosine A2A receptors within the caudate-putamen were investigated in rats using bilateral microinfusions of MSX-3 (9 microg in 1 microl per side), a water-soluble phosphate prodrug of the selective A2A receptor antagonist MSX-2. Blockade of striatal
R Sauer et al.
Journal of medicinal chemistry, 43(3), 440-448 (2000-02-12)
Water-soluble prodrugs of potent, A(2A)-selective adenosine receptor (AR) antagonists were prepared. 8-(m-Bromostyryl)-3, 7-dimethyl-1-propargylxanthine (BS-DMPX, 11) and the analogous 8-(m-methoxystyryl)xanthine derivative (MS-DMPX, 5b) were used as starting points. It was found that polar functional groups suitable for the attachment of a

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