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ST3932

CAT: 0013-GTR19204727-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204727-02Size:50 mg
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Description
ST3932, a metabolite of ST1535, acts as a potent and selective adenosine A2A receptor antagonist with Kis of 8 nM (A2A) and 33 nM (A1) . This small molecule is a valuable research tool for investigating adenosine receptor signaling in neurological and cardiovascular research, applicable in both in vitro and in vivo experimental models.
CAS Number
1246018-21-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
NC1=C2C (N (C) C (=N2) N3N=CC=N3) =NC (CCC (C) O) =N1
Molecular Formula
C12H16N8O
Molecular Weight
288.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(6-Amino-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-2-yl)butan-2-ol
CAS Number1246018-21-2
PubChem CID66678431
IUPAC Name4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-ol
Molecular FormulaC12H16N8O
Molecular Weight288.31
XLogP0.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity352
SMILES
CC(CCC1=NC(=C2C(=N1)N(C(=N2)N3N=CC=N3)C)N)O
InChI
InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
InChIKey
HMSFWLUZEDMXMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-Amino-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-2-yl)butan-2-ol
CAS: 1246018-21-2
CID: 66678431
Formula: C12H16N8O
MW: 288.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.31
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass288.14470716
Monoisotopic Mass288.14470716
Topological Polar Surface Area121 Ų
Heavy Atom Count21
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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