PG-106 (trifluoroacetate salt)

PG-106 is a cyclic peptidomimetic antagonist of melanocortin receptor 3 (MC3R, IC50 = 210 nM). It is selective for MC3R over MC4R and MC5R at 10 µM. InChI: InChI=1S/C51H69N13O9.C2HF3O2/c1-3-4-15-38(59-30(2)65)47(70)64-42-28-44(67)55-22-10-9-17-37(45(52)68)61-50(73)41(27-34-29-58-36-16-8-7-14-35(34)36)63-48(71)39(18-11-23-57-51(53)54)62-49(72)40(60-43(66)21-24-56-46(42)69)26-31-19-20-32-12-5-6-13-33(32)25-31,3-2(4,5)1(6)7/h5-8,12-14,16,19-20,25,29,37-42,58H,3-4,9-11,15,17-18,21-24,26-28H2,1-2H3,(H2,52,68)(H,55,67)(H,56,69)(H,59,65)(H,60,66)(H,61,73)(H,62,72)(H,63,71)(H,64,70)(H4,53,54,57),(H,6,7)/t37-,38-,39-,40+,41-,42-,/m0./s1 InChIKey: INSWYMMBLAZFBE-YVBXOHQISA-N SMILES: O=C(N[C@@H](CCCCNC(C[C@@H](C(NCCC(N[C@@H](C(N[C@H]1CCCNC(N)=N)=O)CC(C=C2)=CC3=C2C=CC=C3)=O)=O)NC([C@H](CCCC)NC(C)=O)=O)=O)C(N)=O)[C@H](CC4=CNC5=CC=CC=C54)NC1=O.O=C(O)C(F)(F)F