ATL-444

Identifiers
IUPAC name (1S,3R)-1-[2-(6-amino-9-prop-2-ynylpurin-2-yl)ethynyl]-3-methylcyclohexan-1-ol
CAS Number	867054-13-5 Y
PubChemCID	11616539
ChemSpider	9791288
UNII	Y29E2DV2VU
CompTox Dashboard(EPA)	DTXSID301030411
Chemical and physical data
Formula	C17H19N5O
Molar mass	309.373 g·mol−1
3D model (JSmol)	Interactive image
SMILES C#CCN1C=NC2=C1N=C(C#C[C@@]3(CCC[C@H](C3)C)O)N=C2N
InChI InChI=1S/C17H19N5O/c1-3-9-22-11-19-14-15(18)20-13(21-16(14)22)6-8-17(23)7-4-5-12(2)10-17/h1,11-12,23H,4-5,7,9-10H2,2H3,(H2,18,20,21)/t12-,17-/m1/s1 Key:VEJLEEFUXFQSHP-SJKOYZFVSA-N

ATL-444 is adrug which acts as apotent and reasonably selectiveantagonist for theadenosinereceptorsA₁ andA_2A. It has been used to study the role of the adenosine receptor system in the reinforcing action ofcocaine,^[1] as well as the development of somecancers.^[2]

• CGS-15943

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