Discovery of a Novel Microsomal Epoxide Hydrolase Catalyzed Hydration of a Spiro Oxetane

Data Supplement

Files in this Data Supplement:

• Supplemental Data -

  NMR characterization of synthesized compound AZ13478123 Methods

  Supplemental Figure 1 - 600 MHz 1H spectra of AZ13478123 (top) and AZD1979 ( bottom) in CD3OD at 25 deg

  Supplemental Figure 2 - 150 MHz 13C spectra of AZ13478123 (top) and AZD1979 (bottom) in CD3OD at 25 deg

  Supplemental Figure 3 - 1H -13C HMBC long-range correlation from CH2(5,7) to CH2(8) of AZ13478123

  Supplemental Table 1 - NMR assignments for 3-(4-{3,3-bis(hydroxymethyl)azetidin-1- ylmethyl}phenoxy)azetidin-1-yl5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylmethanone (AZ13478123) and AZD1979

  Supplemental Figure 4 - Comparison of extracted ion chromatograms of AZD1979 and M1 (mass tolerance 10 ppm) in samples without (A and C) and with (B and D) the spiking of the synthesized diol, AZ13478123