Synthesis and Characterization of Novel Compounds

All chemicals and solvents were used as supplied. SKF96365 (1), CAI (2), 2-APB (3), Pyr2 (4), Pyr3 (5), Synta-66 (6), RO2959 (7) AnCoA4 (10), leflunomide (15), Gd^3+, (18) and La³⁺ (19) were purchased from Sigma-Aldrich (UK). CM4620 (14) was purchased from MedChemExpress (Insight Biotechnology Ltd, UK). Teriflunomide (16) was purchased from APExBIO (UK). MRS1845 (11) was purchased from Santa Cruz Biotechnology (Insight Biotechnology Ltd, UK). Compounds that were not commercially available were synthesised. CM3457 (13) was synthesised by Dr Rajendra Gosain (unpublished). JPIII (17) was synthesised as previously reported [31 (link)]. The synthetic route for GSK7975A (9) and GSK5503A (8) largely followed the patent protocol and is summarised in S2 and S3 Figs, respectively [66 ]. Synthesis of the 7-azaindole series compound (12) (S4 Fig) loosely followed the patent protocol [67 ]. Detailed chemistry methods for compound syntheses can be found in S1 Appendix and NMR data for all compounds and intermediates synthesized can be found in S5–S17 Figs.