For research use only. Not for therapeutic Use.
Aprepitant（Cat No.:A000979）is a potent and selective antagonist of the neurokinin-1 (NK1) receptor, used primarily to prevent chemotherapy-induced nausea and vomiting (CINV) and postoperative nausea and vomiting (PONV). It works by blocking the action of substance P, a neurotransmitter involved in the vomiting reflex, within the brain’s vomiting center. Aprepitant is part of a class of medications known as substance P antagonists and is often used in combination with other antiemetic agents to enhance efficacy. Its ability to cross the blood-brain barrier allows it to effectively prevent both acute and delayed phases of CINV.
| Catalog Number | A000979 |
| CAS Number | 170729-80-3 |
| Synonyms | 170729-80-3; Emend; MK-869; MK-0869; Aprepitantum |
| Molecular Formula | C₂₃H₂₁F₇N₄O₃ |
| Purity | ≥95% |
| Target | Substance P/NK1 Receptor |
| Solubility | >26.7mg/mL in DMSO |
| Storage | -20°C |
| IUPAC Name | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
| InChI | 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 |
| InChIKey | ATALOFNDEOCMKK-OITMNORJSA-N |
| SMILES | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F |
