RTIOX-276

RTIOX-276 is an orexin antagonist. RTIOX-276 binds selectively to the orexin 1 receptor (K_E = 8.5nM) and lacks significant affinity for the orexin 2 receptor (K_E = > 10,000nM). RTIOX-276 may have therapeutic utility for the treatment of cocaine addiction. In conditioned place preference studies, RTIOX-276 attenuated the development of place preference in mice exposed to cocaine.^[1][2][3]

RTIOX-276

Identifiers
IUPAC name 2-(1-(3,4-dimethoxybenzyl)-6-methoxy-7-(2,2,2-trifluoroethoxy)-3,4-dihydroisoquinolin-2(1H)-yl)-N-(pyridin-3-ylmethyl)acetamide
CAS Number	1451412-34-2 Y
PubChem CID	73294135
ChemSpider	30820110
ChEMBL	ChEMBL2418834
CompTox Dashboard (EPA)	DTXSID201336763
Chemical and physical data
Formula	C29H32F3N3O5
Molar mass	559.586 g·mol−1
3D model (JSmol)	Interactive image
SMILES O=C(NCC1=CC=CN=C1)CN2C(CC3=CC(OC)=C(OC)C=C3)C4=CC(OCC(F)(F)F)=C(OC)C=C4CC2
InChI InChI=1S/C29H32F3N3O5/c1-37-24-7-6-19(12-25(24)38-2)11-23-22-14-27(40-18-29(30,31)32)26(39-3)13-21(22)8-10-35(23)17-28(36)34-16-20-5-4-9-33-15-20/h4-7,9,12-15,23H,8,10-11,16-18H2,1-3H3,(H,34,36) Key:KFNSZWWIIUHELF-UHFFFAOYSA-N