For research use only. Not for therapeutic Use.
Mal-PEG8-Phe-Lys-PAB-Exatecan TFA(Cat No.:I041418)is a targeted drug conjugate designed for cancer treatment. It combines a polyethylene glycol (PEG) linker with a maleimide group (Mal) for selective conjugation to biomolecules, enhancing stability and circulation time. The peptide sequence, including phenylalanine (Phe), lysine (Lys), and a PAB spacer, enables efficient internalization into cells. Exatecan, a potent topoisomerase inhibitor, is covalently linked to the conjugate, ensuring targeted delivery to tumor cells. The compound is provided as its trifluoroacetate (TFA) salt form, optimizing its solubility and bioavailability for therapeutic applications.
Synonyms | [4-[[(2S)-6-amino-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid |
Molecular Formula | C75H93F4N9O22 |
Purity | ≥95% |
IUPAC Name | [4-[[(2S)-6-amino-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid |
InChI | InChI=1S/C73H92FN9O20.C2HF3O2/c1-3-73(93)54-42-60-67-52(44-83(60)70(90)53(54)46-102-71(73)91)66-56(17-16-51-47(2)55(74)43-58(79-67)65(51)66)81-72(92)103-45-49-12-14-50(15-13-49)77-68(88)57(11-7-8-22-75)80-69(89)59(41-48-9-5-4-6-10-48)78-62(85)21-25-94-27-29-96-31-33-98-35-37-100-39-40-101-38-36-99-34-32-97-30-28-95-26-23-76-61(84)20-24-82-63(86)18-19-64(82)87;3-2(4,5)1(6)7/h4-6,9-10,12-15,18-19,42-43,56-57,59,93H,3,7-8,11,16-17,20-41,44-46,75H2,1-2H3,(H,76,84)(H,77,88)(H,78,85)(H,80,89)(H,81,92);(H,6,7)/t56-,57-,59-,73-;/m0./s1 |
InChIKey | NGXUGQYCKNICON-GXSKRMLUSA-N |
SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN9C(=O)C=CC9=O)O.C(=O)(C(F)(F)F)O |