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ST4206

CAT: 0931-T14015-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14015-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246018-36-9
Target
Others, Adenosine Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
ST4206 is an antagonist of adenosine A2A. For adenosine A2A receptor and adenosine A1 receptor, the Kis values are 12 nM and 197 nM , respectively.
Smiles
NC1=C2C(N(C)C(=N2)N3N=CC=N3)=NC(CCC(C)=O)=N1
Molecular Formula
C12H14N8O
Molecular Weight
286.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[6-Amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-one
CAS Number1246018-36-9
PubChem CID46912314
IUPAC Name4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-one
Molecular FormulaC12H14N8O
Molecular Weight286.29
XLogP0
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity387
SMILES
CC(=O)CCC1=NC(=C2C(=N1)N(C(=N2)N3N=CC=N3)C)N
InChI
InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
InChIKey
PLXYHOBIHWLDSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-Amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-one
CAS: 1246018-36-9
CID: 46912314
Formula: C12H14N8O
MW: 286.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.29
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass286.12905710
Monoisotopic Mass286.12905710
Topological Polar Surface Area117 Ų
Heavy Atom Count21
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-U00341ST4206

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