For research use only. Not for therapeutic Use.
Orvepitant maleate(CAT: I017163) is a potent and selective neurokinin-1 (NK1) receptor antagonist with central nervous system activity. By blocking NK1 receptors, it prevents binding of substance P, a neuropeptide involved in emesis, stress response, pain transmission, and mood regulation. Orvepitant has been clinically investigated for the treatment of chemotherapy-induced nausea and vomiting (CINV), as well as for potential use in depression, anxiety, and post-traumatic stress disorder (PTSD). Its oral bioavailability and favorable pharmacokinetic profile make it an important compound for both preclinical and clinical research into NK1 receptor biology and therapeutic modulation of substance P–mediated pathways.
| CAS Number | 579475-24-4 |
| Synonyms | (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid |
| Molecular Formula | C35H39F7N4O6 |
| Purity | ≥95% |
| IUPAC Name | (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(Z)-but-2-enedioic acid |
| InChI | InChI=1S/C31H35F7N4O2.C4H4O4/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38;5-3(6)1-2-4(7)8/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24+,25+,27-;/m1./s1 |
| InChIKey | IPACOHTZCSBGBV-WUXDIRCFSA-N |
| SMILES | CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5C(C4)CCC5=O.C(=CC(=O)O)C(=O)O |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
