Characterization of T-5 N-Oxide Formation as the First Highly Selective Measure of CYP3A5 Activity

Data Supplement

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    Figure S1 - 1H spectrum for T-5 in DMSO-d6

    Figure S2 - 1H spectrum for T5-M1 (T-5 N-oxide) in DMSO-d6

    Figure S3 - 1H spectrum for T5-M2 (dealkylated T-5) in DMSO-d6

    Figure S4 - 1H-1H COSY of T5 in DMSO-d6

    Figure S5 - 1H-1H COSY for T5-M1 (T-5 N-oxide) in DMSO-d6

    Figure S6 - 1H-1H COSY for T5-M2 (dealkylated T-5) in DMSO-d6

    Figure S7 - 1H-13C HSQC of T5 in DMSO-d6

    Figure S8 - 1H-13C HSQC for T5-M1 (T-5 N-oxide) in DMSO-d6

    Figure S9 - 1H-13C HSQC for T5-M2 (dealkylated T-5) in DMSO-d6

    Figure S10 - MS/MS spectra for T-5 and its major metabolites

    Figure S11 - Representative LC-MS/MS chromatograms of tryptic digested hepatic microsomes from three 3A5*1*1 donors

    Figure S12 - Representative LC-MS/MS chromatograms of tryptic digested hepatic microsomes from three 3A5*1*3 donors

    Figure S13 - Representative LC-MS/MS chromatograms of tryptic digested hepatic microsomes from three 3A5*3*3 donors

    Figure S14 - Synthesis of T1032 (1) and its N-oxide metabolite (2)

    Figure S15 - 1H NMR Spectra of intermediate S4, 1H NMR (400 MHz, CDCl3)

    Figure S16 - 1H NMR Spectra of intermediate S12, 1H NMR (400 MHz, MeOD-d4)

    Figure S17 - 1H NMR Spectra of product 2 (400 MHz, DMSO-d6)