Nitrogen inversion barriers affect the N-oxidation of tertiary alkylamines by cytochromes P450

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningfagfællebedømt

Patrik Rydberg, Martin S. Jørgensen, T.A. Jacobsen, A.-M. Jacobsen, Kim G. Madsen, L. Olsen

Calculations: Cytochrome P450 enzymes facilitate a number of chemically different reactions. For example, amines can be either N-dealkylated or N-oxidized, but it is complex to rationalize which of these competing reactions occurs. It is shown that the barrier for inversion of the alkylamine nitrogen atom seems to be of vital importance for the amount of N-oxidized product formed relative to dealkylation and hydroxylation products.
OriginalsprogEngelsk
TidsskriftAngewandte Chemie International Edition
Vol/bind52
Udgave nummer3
Sider (fra-til)993-997
Antal sider5
ISSN1433-7851
DOI
StatusUdgivet - 14 jan. 2013

ID: 45249213