Aprepitant-13C2,d2 (Major)
Product Code
TRC-A729802
CAS Number
Product Format
Neat
Molecular Formula
C2113C2H19D2F7N4O3
Molecular Weight
538.42
API Family
AprepitantProduct Categories
TRC, Stable isotopes, Agonist & antagonist analogues, Stable isotopes, API Reference Standards & Research Materials, Additional Neuro Products, Depression, Schizophrenia, Pain and Inflammation
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Aprepitant-13C2,d2
CAS Number
1217676-37-3
Molecular Formula
C2113C2H19D2F7N4O3
Molecular Weight
538.42
SMILES
O=C1N[13C]([13CH2]N2CCO[C@H](O[C@]([2H])(C[2H])C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)[C@@H]2C4=CC=C(F)C=C4)=NN1
Unlabelled CAS Number
170729-80-3
SIL Type
Carbon, Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API; Stable Isotope Labelled
Product Format
Neat
API Family
Product Description
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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