ATL-444

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 ;
PubChem CID	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 a drug which acts as a potent and reasonably selective antagonist for the adenosine receptors A₁ and A_2A. It has been used to study the role of the adenosine receptor system in the reinforcing action of cocaine,^[1] as well as the development of some cancers.^[2]

References

^ Doyle SE, Breslin FJ, Rieger JM, Beauglehole A, Lynch WJ (August 2012). "Time and sex-dependent effects of an adenosine A2A/A1 receptor antagonist on motivation to self-administer cocaine in rats". Pharmacology, Biochemistry, and Behavior. 102 (2): 257–63. doi:10.1016/j.pbb.2012.05.001. PMC 3383440. PMID 22579716.
^ Choi MS, Moon SM, Lee SA, Park BR, Kim JS, Kim DK, Kim YH, Kim CS (May 2018). "Adenosine induces intrinsic apoptosis via the PI3K/Akt/mTOR signaling pathway in human pharyngeal squamous carcinoma FaDu cells". Oncology Letters. 15 (5): 6489–6496. doi:10.3892/ol.2018.8089. PMC 5876434. PMID 29616118.

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[1] Doyle SE, Breslin FJ, Rieger JM, Beauglehole A, Lynch WJ (August 2012). "Time and sex-dependent effects of an adenosine A2A/A1 receptor antagonist on motivation to self-administer cocaine in rats". Pharmacology, Biochemistry, and Behavior. 102 (2): 257–63. doi:10.1016/j.pbb.2012.05.001. PMC 3383440. PMID 22579716.

[pmid29616118-2] Choi MS, Moon SM, Lee SA, Park BR, Kim JS, Kim DK, Kim YH, Kim CS (May 2018). "Adenosine induces intrinsic apoptosis via the PI3K/Akt/mTOR signaling pathway in human pharyngeal squamous carcinoma FaDu cells". Oncology Letters. 15 (5): 6489–6496. doi:10.3892/ol.2018.8089. PMC 5876434. PMID 29616118.

[1]

[2]

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
PubChem CID	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

See also

References