aprepitant

InvivoChem Cat #:V4330CAS #:170729-80-3Purity >=98%

Description: Aprepitant (formerly known as MK-0869; MK-869; L-754030; trade name: Emend) is a novel, selective and high-affinity small molecule antagonist of neurokinin 1 receptor with a Kd of 86 pM. By crossing the blood brain barrier, aprepitant is able to bind selectively to the human substance P/neurokinin 1 receptor in the central nervous system (CNS), thereby inhibiting receptor binding of endogenous substance P and substance P-induced emesis. Aprepitant has little or no affinity for serotonin type 3 (5-HT3), dopamine, and corticosteroid receptors.

References: J Neuroinflammation. 2017 Feb 15; 14(1):37.

-20C for 3 years in powder form

Synonym: L754030; L-754030; L 754030; MK0869; MK 0869; MK-0869; ONO7436; ONO-7436; ONO 7436; Aprepitant; trade name: Emend
IUPAC/Chemical Name: 5-(((2R, 3S)-2-((R)-1-(3, 5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1, 2, 4-triazol-3(2H)-one
InChi Key: ATALOFNDEOCMKK-OITMNORJSA-N
InChi Code: InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25, 26)27)10-16(9-14)23(28, 29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5, 8-10, 12, 19-20H, 6-7, 11H2, 1H3, (H2, 31, 32, 33, 35)/t12-, 19+, 20-/m1/s1
SMILES Code: O=C1NNC(CN2[CH](C3=CC=C(F)C=C3)[CH](O[CH](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)OCC2)=N1