BAY 59-3074

BAY 59-3074
Legal status
Legal status	In general: unscheduled;
Identifiers
	IUPAC name 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonic acid ester;
CAS Number	406205-74-1 ;
PubChem CID	10479060;
ChemSpider	8654468 ;
UNII	5FO5Z101GU;
CompTox Dashboard (EPA)	DTXSID701027444 ;
Chemical and physical data
Formula	C18H13F6NO4S
Molar mass	453.36 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES FC(F)(F)CCCS(=O)(=O)Oc2cc(Oc1cccc(c1C#N)C(F)(F)F)ccc2;
	InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2 ; Key:LWUSZIVDPJPVBW-UHFFFAOYSA-N ;
	(verify)

BAY 59-3074 is a drug which is a cannabinoid receptor partial agonist developed by Bayer AG. It has analgesic effects and is used in scientific research. It is orally active in animals, and has modest affinity for both CB₁ and CB₂ receptors, with K_i values of 48.3nM at CB₁ and 45.5nM at CB₂.^[1]^[2]

References

^ De Vry J, Denzer D, Reissmueller E, Eijckenboom M, Heil M, Meier H, Mauler F (August 2004). "3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl-4,4,4-trifluoro-1-butanesulfonate (BAY 59-3074): a novel cannabinoid Cb1/Cb2 receptor partial agonist with antihyperalgesic and antiallodynic effects". The Journal of Pharmacology and Experimental Therapeutics. 310 (2): 620–32. doi:10.1124/jpet.103.062836. PMID 15140913. S2CID 17980901.
^ De Vry J, Jentzsch KR (November 2004). "Discriminative stimulus effects of the structurally novel cannabinoid CB1/CB2 receptor partial agonist BAY 59-3074 in the rat". European Journal of Pharmacology. 505 (1–3): 127–33. doi:10.1016/j.ejphar.2004.10.012. PMID 15556145.

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[1] De Vry J, Denzer D, Reissmueller E, Eijckenboom M, Heil M, Meier H, Mauler F (August 2004). "3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl-4,4,4-trifluoro-1-butanesulfonate (BAY 59-3074): a novel cannabinoid Cb1/Cb2 receptor partial agonist with antihyperalgesic and antiallodynic effects". The Journal of Pharmacology and Experimental Therapeutics. 310 (2): 620–32. doi:10.1124/jpet.103.062836. PMID 15140913. S2CID 17980901.

[2] De Vry J, Jentzsch KR (November 2004). "Discriminative stimulus effects of the structurally novel cannabinoid CB1/CB2 receptor partial agonist BAY 59-3074 in the rat". European Journal of Pharmacology. 505 (1–3): 127–33. doi:10.1016/j.ejphar.2004.10.012. PMID 15556145.

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