AR-231,453

AR-231,453
Identifiers
	IUPAC name N-(2-fluoro-4-methanesulfonylphenyl)-(6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-5-nitropyrimidin-4-yl)amine;
CAS Number	733750-99-7 ;
PubChem CID	24939268;
IUPHAR/BPS	5653;
ChemSpider	23330691 ;
UNII	07Z1P4981I;
ChEMBL	ChEMBL461384 ;
CompTox Dashboard (EPA)	DTXSID80223614 ;
Chemical and physical data
Formula	C21H24FN7O5S
Molar mass	505.53 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Fc2cc(S(=O)(C)=O)ccc2Nc1ncnc(c1N(=O)=O)N(CC3)CCC3c(n4)onc4C(C)C;
	InChI InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25) ; Key:DGBKNTVAKIFYNU-UHFFFAOYSA-N ;
	(what is this?) (verify)

AR-231,453 is an agonist for the suggested novel cannabinoid receptor GPR119.^[1]

References

^ Semple G, Fioravanti B, Pereira G, Calderon I, Uy J, Choi K, Xiong Y, Ren A, Morgan M, Dave V, Thomsen W, Unett DJ, Xing C, Bossie S, Carroll C, Chu ZL, Grottick AJ, Hauser EK, Leonard J, Jones RM (2008). "Discovery of the first potent and orally efficacious agonist of the orphan G-protein coupled receptor 119". J Med Chem. 51 (17): 5172–5175. doi:10.1021/jm8006867. PMID 18698756.

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Identifiers

IUPAC name N-(2-fluoro-4-methanesulfonylphenyl)-(6-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-5-nitropyrimidin-4-yl)amine
CAS Number	733750-99-7^N
PubChem CID	24939268
IUPHAR/BPS	5653
ChemSpider	23330691^Y
UNII	07Z1P4981I
ChEMBL	ChEMBL461384^Y
CompTox Dashboard (EPA)	DTXSID80223614
Chemical and physical data
Formula	C₂₁H₂₄FN₇O₅S
Molar mass	505.53 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Fc2cc(S(=O)(C)=O)ccc2Nc1ncnc(c1N(=O)=O)N(CC3)CCC3c(n4)onc4C(C)C
InChI InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)^Y Key:DGBKNTVAKIFYNU-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)