CCZ01048 (trifluoroacetate salt)

A synthetic peptide, has been conjugated to radioligands for use in PET imaging of tumors expressing MC1R and for tissue distribution studies in vivo. Formulation: A solid. InChI: InChI=1S/C71H105N21O16.C2HF3O2/c1-2-3-15-52(81-60(95)40-88-23-19-47(20-24-88)80-59(94)39-89-25-27-90(41-61(96)97)29-31-92(43-63(100)101)32-30-91(28-26-89)42-62(98)99)65(103)87-57-36-58(93)76-21-10-9-17-51(64(72)102)82-68(106)55(34-46-37-78-50-16-8-7-14-49(46)50)85-66(104)53(18-11-22-77-71(73)74)83-67(105)54(33-45-12-5-4-6-13-45)84-69(107)56(86-70(57)108)35-48-38-75-44-79-48,3-2(4,5)1(6)7/h4-8,12-14,16,37-38,44,47,51-57,78H,2-3,9-11,15,17-36,39-43H2,1H3,(H2,72,102)(H,75,79)(H,76,93)(H,80,94)(H,81,95)(H,82,106)(H,83,105)(H,84,107)(H,85,104)(H,86,108)(H,87,103)(H,96,97)(H,98,99)(H,100,101)(H4,73,74,77),(H,6,7)/t51-,52-,53-,54+,55-,56-,57-,/m0./s1. InChIKey: JIZKEKLUEFKTGN-KFQCFJOQSA-N. SMILES: OC(C(F)(F)F)=O.O=C(CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC2CCN(CC(N[C@@H](CCCC)C(N[C@H](C(N[C@@H](CC3=CN=CN3)C(N[C@H](CC4=CC=CC=C4)C(N[C@@H](CCCNC(N)=N)C(N[C@H]5CC6=CNC7=C6C=CC=C7)=O)=O)=O)=O)CC(NCCCC[C@@H](C(N)=O)NC5=O)=O)=O)=O)CC2