rac-Aprepitant-d4

rac-Aprepitant-d4 is intended for use as an internal standard for the quantification of aprepitant (Cay-14867) by GC- or LC-MS. Aprepitant an antiemetic compound and antagonist of the neurokinin-1 (NK1) receptor (Ki = 3 nM, IC50 = 0.09 nM for the human receptor). It is selective for NK1 over NK3 receptors (Ki = 454.1 nM for human NK3). In vivo, aprepitant (1 mg/kg) prevents plasma extravasation into the esophagus of guinea pigs induced by substance P (Cay-24035). It also reduces NK1-agonist-induced foot tapping in gerbils. Formulations containing aprepitant have been used to prevent chemotherapy-induced nausea and vomiting.Formal Name: 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl-2,3,5,6-d4)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. CAS Number: 2748471-42-1. Molecular Formula: C23H17D4F7N4O3. Formula Weight: 538.5. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A solid. Solubility: DMF: 25 mg/ml, DMSO: 16 mg/ml, Ethanol: 3 mg/ml. SMILES: O=C(N1)NN=C1CN(CCO2)C(C3=C([2H])C([2H])=C(F)C([2H])=C3[2H])C2OC(C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4. InChi Code: 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)/i2D,3D,4D,5D. InChi Key: ATALOFNDEOCMKK-QFFDRWTDSA-N.