For research use only. Not for therapeutic Use.
c(phg-isoDGR-(NMe)k) TFA is a selective and potent α5β1-integrin ligand with an IC50 of 2.9 nM[1].
c(phg-isoDGR-(NMe)k) TFA is trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring α5β1 integrin expression in a M21 mouse xenograft[1].
| Catalog Number | I046051 |
| Synonyms | (5S,8R,11R,14S)-8-(4-aminobutyl)-5-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,16-pentaoxo-11-phenyl-1,4,7,10,13-pentazacyclohexadecane-14-carboxylic acid;2,2,2-trifluoroacetic acid |
| Molecular Formula | C29H42F3N9O9 |
| Purity | ≥95% |
| InChI | InChI=1S/C27H41N9O7.C2HF3O2/c1-36-19(11-5-6-12-28)23(39)35-22(16-8-3-2-4-9-16)24(40)34-18(26(42)43)14-20(37)32-15-21(38)33-17(25(36)41)10-7-13-31-27(29)30;3-2(4,5)1(6)7/h2-4,8-9,17-19,22H,5-7,10-15,28H2,1H3,(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,42,43)(H4,29,30,31);(H,6,7)/t17-,18-,19+,22+;/m0./s1 |
| InChIKey | ILAYWYHCAONWQF-DIKLDQRVSA-N |
| SMILES | CN1C(C(=O)NC(C(=O)NC(CC(=O)NCC(=O)NC(C1=O)CCCN=C(N)N)C(=O)O)C2=CC=CC=C2)CCCCN.C(=O)(C(F)(F)F)O |
| Reference | [1]. Kapp TG, et al. N-Methylation of isoDGR Peptides: Discovery of a Selective α5β1-Integrin Ligand as a Potent Tumor Imaging Agent. J Med Chem. 2018 Mar 22;61(6):2490-2499. |
