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MSX-3

CAT: 0931-T25841-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25841-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
261717-23-1
Target
Others, Adenosine Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
MSX-3 is an antagonist of the A2A adenosine receptor and a prodrug of MSX-2.
Smiles
[Na].[Na].COc1cccc(\C=C\c2nc3n(CCCOP(O)(O)=O)c(=O)n(CC#C)c(=O)c3n2C)c1
Molecular Formula
C21H23N4Na2O7P
Molecular Weight
520.389
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Msx-3
CAS Number261717-23-1
PubChem CID10256041
IUPAC Namedisodium;3-[8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-2,6-dioxo-1-prop-2-ynylpurin-3-yl]propyl phosphate
Molecular FormulaC21H21N4Na2O7P
Molecular Weight518.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity841
SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2CCCOP(=O)([O-])[O-])CC#C)/C=C/C3=CC(=CC=C3)OC.[Na+].[Na+]
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);;/q;2*+1/p-2/b10-9+;;
InChIKey
ZYVZWCILYQDHNU-TTWKNDKESA-L
Chemical Structure
2D Structure
2D structure of Msx-3
CAS: 261717-23-1
CID: 10256041
Formula: C21H21N4Na2O7P
MW: 518.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass518.09432458
Monoisotopic Mass518.09432458
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
456677-01MSX-3
MBS3603798-01MSX-3 hydrate
MBS5812112MSX-3 free acid
sc-149666Msx-3 siRNA (m)
sc-149666-PRMsx-3 (m) -PR
M19238-01MSX-122
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