For research use only. Not for therapeutic Use.
XL388-C2-amide-PEG9-NH2 TFA(Cat No.:I042842)is a complex peptide-based compound designed for targeted therapeutic applications. It features a PEG9 linker, providing solubility and flexibility, while the amide group enables stable peptide bonding. The compound includes XL388, a selective inhibitor, known for its role in modulating specific protein targets involved in cancer and metabolic disease pathways. The TFA (trifluoroacetic acid) salt form ensures the compound’s stability during synthesis and storage. XL388-C2-amide-PEG9-NH2 TFA is primarily used in research to explore targeted inhibition and drug delivery in oncology and metabolic disease treatments.
Synonyms | 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[4-[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-fluoro-3-methylphenyl]sulfonylethyl]propanamide;2,2,2-trifluoroacetic acid |
Molecular Formula | C45H63F4N5O15S |
Purity | ≥95% |
IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[4-[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-fluoro-3-methylphenyl]sulfonylethyl]propanamide;2,2,2-trifluoroacetic acid |
InChI | InChI=1S/C43H62FN5O13S.C2HF3O2/c1-33-37(43(51)49-11-14-62-38-5-2-34(30-36(38)32-49)35-3-7-40(46)48-31-35)4-6-39(42(33)44)63(52,53)29-10-47-41(50)8-12-54-15-17-56-19-21-58-23-25-60-27-28-61-26-24-59-22-20-57-18-16-55-13-9-45;3-2(4,5)1(6)7/h2-7,30-31H,8-29,32,45H2,1H3,(H2,46,48)(H,47,50);(H,6,7) |
InChIKey | NLQUSQAYICZPJU-UHFFFAOYSA-N |
SMILES | CC1=C(C=CC(=C1F)S(=O)(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N.C(=O)(C(F)(F)F)O |