Additional file 1 of Preclinical evaluation of an 18F-labeled Nε-acryloyllysine piperazide for covalent targeting of transglutaminase 2

Additional file 1. Figure S1: Exemplary radio-HPLC chromatogram for the purification of [18F]7b; Figure S2: Exemplary UV- and radio-HPLC as well as radio-TLC chromatograms of finally formulated [18F]7b; Figure S3: Time course of residual 18F-activity and fraction of [18F]7b in blood ex vivo; Figure S4: Ex vivo distribution of 18F-activity in blood components of a Wistar rat; Figure S5: Stability of [18F]7b in plasma and erythrocytes after incubation in vitro and in vivo; Figure S6: Km and Vmax determination for the degradation of [18F]7b by murine liver microsomes; Figure S7: Comparison of the profiles of radiometabolites ex vivo and toward MLMs; Figure S8: UPLC-MS/MS analysis of carrier added MLM incubations under oxidative conditions; Figure S9: Comparison of HPLC retention times for 7b-N-oxide and the profile of radiometabolites observed in vivo; Figure S10: Comparison of HPLC retention times for 7b-N-oxide and the profile of radiometabolites observed toward MLM; Figure S11: Treatment of [18F]7b with MLMs under oxidative conditions in the presence of Alamethicin and UDPGA; Figure S12: UPLC-MS/MS analysis of carrier added MLM incubations under oxidative/glucoronidation conditions; Figure S13: Uptake of [18F]7b in different tumor cell lines; Figure S14: Release of [18F]7b from different tumor cell lines; Figure S15: Biodistribution of [18F]7b in tumor-bearing mice; Figure S16: Hypothetical mechanism of the observed CYP-mediated 18F-defluorination of [18F]7b assuming plausible hydroxy-defluorination; Scheme S1: Structures of previously reported radiotracer for TGase 2; Table S1: Summary of pharmacokinetic parameters for [18F]7b determined in a healthy Wistar rat; Table S2: Summary of pharmacokinetic parameters for [18F]7b derived from experiments with murine liver microsomes.