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MSX-2

CAT: 0013-GTR19198848-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198848-01Size:25 mg
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Description
MSX-2 is a selective antagonist of the adenosine A2A receptor. It is a valuable research tool for investigating adenosine signaling in both in vitro and in vivo models, with applications in neuropharmacology, immunology, and cardiovascular research.
CAS Number
261717-18-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCO) N1C2=C (C (=O) N (CC#C) C1=O) N (C) C (/C=C/C3=CC (OC) =CC=C3) =N2
Molecular Formula
C21H22N4O4
Molecular Weight
394.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Msx-2
CAS Number261717-18-4
PubChem CID10046145
IUPAC Name3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
Molecular FormulaC21H22N4O4
Molecular Weight394.4
XLogP1.6
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity687
SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2CCCO)CC#C)/C=C/C3=CC(=CC=C3)OC
InChI
InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
InChIKey
FWLDDFYHEQMIGG-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of Msx-2
CAS: 261717-18-4
CID: 10046145
Formula: C21H22N4O4
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass394.16410520
Monoisotopic Mass394.16410520
Topological Polar Surface Area87.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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