Netupitant-d6

Netupitant-d6 is intended for use as an internal standard for the quantification of netupitant (Cay-23809) by GC- or LC-MS. Netupitant is an insurmountable antagonist of the neurokinin-1 (NK1) receptor (Ki = 0.95 nM in CHO cells expressing the human recombinant receptor). It is selective for human NK1 over human NK2 and NK3 and rat NK1 (Kis = >1,500 nM) and over 50 G protein-coupled receptors, monoamine transporters, and ion channels when used in the nanomolar range. Netupitant decreases the maximal response to substance P-induced contractions in isolated guinea pig ileum with long-lasting effects. It also dose-dependently inhibits the substance P-induced scratching, biting, and licking response in mice when used at doses ranging from 1 to 10 mg/kg and decreases NK agonist-induced foot tapping in gerbils (ID50s = 1.5 mg/kg, i.p., or 0.5 mg/kg, oral).Formal Name: N-methyl-alpha,alpha-dimethyl-d3-N-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide. CAS Number: 2070015-31-3. Molecular Formula: C30H26D6F6N4O. Formula Weight: 584.6. Purity: >99% deuterated forms (d1-d6). Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble, Methanol: soluble. SMILES: CN1CCN(C2=NC=C(N(C)C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=O)C(C4=CC=CC=C4C)=C2)CC1. InChi Code: InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3/i2D3,3D3. InChi Key: WAXQNWCZJDTGBU-XERRXZQWSA-N.