259675
CAS Number
170729-80-3Grade
Highly PurifiedMolecular Formula
C23H21F7N4O3Molecular Weight
534.43EU Commodity Code
38220090Shipping Temp
RTStorage Temp
4°CAprepitant
5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one; Emend; L 754030; MK-869; ONO-7436
Aprepitant an antiemetic and antagonist of the neurokinin-1 (NK1) receptor (Ki = 3nM; IC50 = 0.09nM for the human receptor).It is selective for NK1 over NK3 receptors (Ki = 454.1nM for human NK3). In vivo, aprepitant (1mg/Kg) prevents plasma extravasation into the esophagus of guinea pigs induced by substance P. It also reduces NK1-agonist-induced foot tapping in gerbils. Formulations containing aprepitant have been used to prevent chemotherapy-induced nausea and vomiting.
Synonyms
5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one; Emend; L 754030; MK-869; ONO-7436
Molecular Formula
C23H21F7N4O3
Appearance
White to off-white powder
Identity (1H NMR)
Conforms to structure
Melting Point
As Reported
Storage and Stability
Store at RT. Stable for 6 months after receipt.
Important Note
This product as supplied is intended for research use only, not for use in human, therapeutic or diagnostic applications without the expressed written authorization of United States Biological.
Toxicity and Hazards: All products should be handled by qualified personnel only, trained in laboratory procedures.
Form
White to off-white powder
Important Note
This product as supplied is intended for research use only, not for use in human, therapeutic or diagnostic applications without the expressed written authorization of United States Biological.
Intended for research use only. Not for use in human, therapeutic, or diagnostic applications.
References
1. Bissantz, C., Bohnert, C., Hoffmann, T., et al. Identification of a crucial amino acid in the helix position 6.51 of human tachykinin neurokinin 1 and 3 receptors contributing to the insurmountable mode of antagonism by dual NK1/NK3 antagonists. J. Med. Chem. 55(11), 5061-5076 (2012). 2. Finke, P.E., Meurer, L.C., Levorse, D.A., et al. Cyclopentane-based human NK1 antagonists. Part 1: Discovery and initial SAR. Bioorg. Med. Chem. Lett. 16(17), 4497-4503 (2006). 3. Meurer, L.C., Finke, P.E., Owens, K.A., et al. Cyclopentane-based human NK1 antagonists. Part 2: Development of potent, orally active, water-soluble derivatives. Bioorg. Med. Chem. Lett. 16(17), 4504-4511 (2006).USBio References
No references available