KF-26777

KF-26777 is a drug which acts as a potent and selective antagonist for the adenosine A₃ receptor, with sub-nanomolar affinity (A₃ Ki=0.2nM) and high selectivity over the other three adenosine receptor subtypes.^[1] Simple xanthine derivatives such as caffeine and DPCPX have generally low affinity for the A₃ subtype and must be extended by expanding the ring system and adding an aromatic group to give high A₃ affinity and selectivity.^[2]

KF-26777

Clinical data
Other names	KF-26777
Identifiers
IUPAC name (2-(4-bromophenyl)-7,8-dihydro-4-propyl-1H-imidazo[2,1-i]purin-5(4H)-one
CAS Number	206129-88-6 Y
PubChem CID	9820916
ChemSpider	7996665
UNII	N33070GI64
ChEMBL	ChEMBL2181965
CompTox Dashboard (EPA)	DTXSID101028432
Chemical and physical data
Formula	C16H18BrN5O
Molar mass	376.258 g·mol−1
3D model (JSmol)	Interactive image
SMILES CCCN(C2=O)C1N=C(c(cc3)ccc3Br)NC1C=4N2CCN=4
InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20) Key:GYGNZJDWTHECQT-UHFFFAOYSA-N
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