Mal-PEG8-Phe-Lys-PAB-Exatecan TFA

For research use only. Not for therapeutic Use.

  • CAT Number: I041418
  • Molecular Formula: C75H93F4N9O22
  • Molecular Weight: 1548.58
  • Purity: ≥95%
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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

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