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

• CAT Number: I041418
• Molecular Formula: C75H93F4N9O22
• Molecular Weight: 1548.58
• Purity: ≥95%
• 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
• 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: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCCN)NC(=O)C(CC8=CC=CC=C8)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN9C(=O)C=CC9=O)O.C(=O)(C(F)(F)F)O

Mal-PEG8-Phe-Lys-PAB-Exatecan TFA is a agent-linker conjugate for ADC, composed of degradable linker Mal-PEG8-Phe-Lys-PAB and toxin molecule Exatecan (HY-13631)[1].

Reference

[1]. Manel KRAIEM. Treatment of cancer. Patent WO2021151984A1.