Befetupitant

Befetupitant (Ro67-5930) is a drug developed by Hoffmann-La Roche which acts as a potent and selective antagonist for the NK₁ receptor.[1] It was originally developed as a potential antiemetic drug, though development was ultimately discontinued after a related drug netupitant was deemed to be more suitable for clinical development. Befetupitant has however continued to be researched for other possible applications such as treatment of corneal neovascularization.[2]

Befetupitant

Clinical data
ATC code	none
Identifiers
IUPAC name 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide
CAS Number	290296-68-3
PubChem CID	6450815
ChemSpider	4953365
UNII	RSH7NDI7MI
CompTox Dashboard (EPA)	DTXSID90183270
Chemical and physical data
Formula	C29H29F6N3O2
Molar mass	565.560 g·mol^−1
3D model (JSmol)	Interactive image
SMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4
InChI 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 Key:ZGNPLCMMVKCTHM-UHFFFAOYSA-N

References

1. Hoffmann T, Bös M, Stadler H, Schnider P, Hunkeler W, Godel T, et al. (March 2006). "Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists". Bioorganic & Medicinal Chemistry Letters. 16 (5): 1362–5. doi:10.1016/j.bmcl.2005.11.047. PMID 16332435.
2. Bignami F, Giacomini C, Lorusso A, Aramini A, Rama P, Ferrari G (September 2014). "NK1 receptor antagonists as a new treatment for corneal neovascularization". Investigative Ophthalmology & Visual Science. 55 (10): 6783–94. doi:10.1167/iovs.14-14553. PMID 25228541.