For research use only. Not for therapeutic Use.
Fosnetupitant chloride monohydrochloride (Pronetupitant chloride monohydrochloride) is an NK1 antagonist with pKi values of 9.5, 6.1 for human NK1 and NK3 receptor, respectively. Fosnetupitant chloride monohydrochloride is a methylene phosphate prodrug of Netupitant[1].
Fosnetupitant chloride monohydrochloride displays a micromolar affinity for the 5-HT6 (pKi ∼ 5.2) receptor and type L Ca2+ channels (pKi ∼ 5.7) and does not bind all the other proteins investigated[1].
Fosnetupitant chloride monohydrochloride (i.v.) is converted in few minutes to Netupitant (HY-16346) invivo[1].
| Catalog Number | I027727 |
| CAS Number | 1643757-72-5 |
| Synonyms | [4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl dihydrogen phosphate;chloride;hydrochloride |
| Molecular Formula | C31H37Cl2F6N4O5P |
| Purity | ≥95% |
| InChI | InChI=1S/C31H35F6N4O5P.2ClH/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37;;/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45);2*1H |
| InChIKey | LBTQUZNIWCWBNN-UHFFFAOYSA-N |
| 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)N4CC[N+](CC4)(C)COP(=O)(O)O.Cl.[Cl-] |
| Reference | [1]. Ruzza C, et al. In vitro and in vivo pharmacological characterization of Pronetupitant, a prodrug of the neurokinin 1 receptor antagonist Netupitant. Peptides. 2015 Jul;69:26-32. |
