WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406436
Description: Befetupitant, also known as Ro 67-5930, is a potent and selective NK1 receptor antagonist. Befetupitant is potentially useful in controlling chemotherapy-induced nausea and vomiting . Substance P-neurokinin-1 (NK1) receptor pathways have been repeatedly implicated in the pathophysiology of affective disorders. A high expression of NK1 receptors in brain regions that are important for the regulation of affective behaviours and stress responses.
MedKoo Cat#: 406436
Chemical Formula: C29H29F6N3O2
Exact Mass: 565.2164
Molecular Weight: 565.54988
Elemental Analysis: C, 61.59; H, 5.17; F, 20.16; N, 7.43; O, 5.66
Synonym: Befetupitant; Ro 675930; Ro675930; Ro-675930.
IUPAC/Chemical Name: 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-(o-tolyl)pyridin-3-yl)propanamide
InChi Key: ZGNPLCMMVKCTHM-UHFFFAOYSA-N
InChi Code: InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
SMILES Code: CC(C)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N(C)C2=C(C3=CC=CC=C3C)C=C(N4CCOCC4)N=C2)=O
1: Hoffmann-Emery F, Hilpert H, Scalone M, Waldmeier P. Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives. J Org Chem. 2006 Mar 3;71(5):2000-8. PubMed PMID: 16496986.