CAS:1217676-37-3|Aprepitant-13C2,d2 (Major)

Catalogue Number:A729802
Chemical Name:Aprepitant-13C2,d2 (Major)
Synonyms:5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one-13C2,d2; Emend-13C2,d2; MK-0869-13C2,d2;
CAS Number:1217676-37-3
Alternate CAS #
Unlabelled: 170729-80-3
Molecular Formula:C₂₁¹³C₂H₁₉D₂F₇N₄O₃
Appearance:Off-White Solid
Melting Point:217-221°C
Molecular Weight:538.42
Storage:-20°C
Solubility:Chloroform, Methanol
Category:Standards; Chiral Molecules; Isotopic Labeled Analogues; Pharmaceutical/API Drug Impurities/Metabolites;
Applications:This product is deuterated at the 1 position and on the ajacent methyl. The 1 position is the benylic position of the bis(trifluoromethyl) phenyl. This compound has a mixture of 1 to 4 deuterium atoms, there is no detectable unlabeled material.Aprepitant is a structurally novel substance P neurokinin 1 (NK1) receptor antagonist. In vitro studies using human liver microsomes indicate that aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1.
References:Hale, J.J., et al.: J. Med. Chem., 41, 4607 (1998), Campos, D., et al.: J. Clin. Oncol., 19, 1759 (2001), Van Belle, S., et al.: Cancer, 94, 3032 (2002), Majumdar, A.K., et al.: J. Clin. Pharmacol., 46, 291 (2006),
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