Cyclo(RGDfK) (trifluoroacetate salt)

An inhibitor of alphavbeta3 integrin (IC50 = 1.33 nM), taken up into tumors in vivo and in vitro, has been polymerized or conjugated to various fluorophores, radiolabels, and peptide sequences for use in fluorescent and PET imaging to study tumor cell adhesion. SMILES: NC(NCCC[C@@H](C(NCC(N[C@H]1CC(O)=O)=O)=O)NC([C@H](CCCCN)NC([C@@H](CC2=CC=CC=C2)NC1=O)=O)=O)=N.OC(C(F)(F)F)=O. InChi Code: InChI=1S/C27H41N9O7.C2HF3O2/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16,3-2(4,5)1(6)7/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31),(H,6,7)/t17-,18-,19+,20-,/m0./s1. InChi Key: WHCQIPJAWCYHFT-HXSCNMCGSA-N