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A2A/A1 AR antagonist-1

CAT: 0013-GTR19187732-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187732-01Size:25 mg
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Description
A2A/A1 AR antagonist-1 (compound 1a) is a potent dual antagonist of adenosine A2A and A1 receptors, exhibiting Kis of 5.58 nM and 24.2 nM, respectively. It is a valuable research tool for investigating neuroprotective strategies in models of ischemic stroke, applicable in both in vitro and in vivo experimental settings.
CAS Number
2445615-24-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
NC=1N2C (C (=CN1) C3=CN (C) C (=O) C=C3) =NC (=N2) C4=CC=CO4
Molecular Formula
C15H12N6O2
Molecular Weight
308.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A2a-a1-ar-antagonist-1
CAS Number2445615-24-5
PubChem CID151698511
IUPAC Name5-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
Molecular FormulaC15H12N6O2
Molecular Weight308.29
XLogP0.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity550
SMILES
CN1C=C(C=CC1=O)C2=CN=C(N3C2=NC(=N3)C4=CC=CO4)N
InChI
InChI=1S/C15H12N6O2/c1-20-8-9(4-5-12(20)22)10-7-17-15(16)21-14(10)18-13(19-21)11-3-2-6-23-11/h2-8H,1H3,(H2,16,17)
InChIKey
REBSCEKUSAWQBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A2a-a1-ar-antagonist-1
CAS: 2445615-24-5
CID: 151698511
Formula: C15H12N6O2
MW: 308.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.29
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass308.10217365
Monoisotopic Mass308.10217365
Topological Polar Surface Area103 Ų
Heavy Atom Count23
Formal Charge0
Complexity550
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

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