Mal-PEG4-VA-PBD

• CAT Number: I017840
• CAS Number: 1342820-68-1
• Molecular Formula: C68H79N9O17
• Molecular Weight: 1294.40
• Purity: ≥95%
• IUPAC Name: (2S)-N-[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanamide
• InChI: InChI=1S/C68H79N9O17/c1-42(2)64(74-61(79)19-24-89-26-28-91-30-31-92-29-27-90-25-20-69-60(78)18-21-75-62(80)16-17-63(75)81)66(83)72-43(3)65(82)73-48-12-8-44(9-13-48)46-32-49-38-70-54-36-58(56(87-5)34-52(54)67(84)76(49)40-46)93-22-7-23-94-59-37-55-53(35-57(59)88-6)68(85)77-41-47(33-50(77)39-71-55)45-10-14-51(86-4)15-11-45/h8-17,34-43,49-50,64H,7,18-33H2,1-6H3,(H,69,78)(H,72,83)(H,73,82)(H,74,79)/t43-,49-,50-,64-/m0/s1
• InChIKey: NYVRJRVPDLPKGD-DEVGTKRQSA-N
• SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN9C(=O)C=CC9=O

Mal-PEG4-VA-PBD（Cat No.:I017840）is a potent cytotoxic payload-linker designed for antibody–drug conjugate (ADC) development. It contains a maleimide (Mal) group for selective thiol conjugation to antibodies, a PEG4 spacer that enhances solubility and flexibility, and a valine–alanine (VA) dipeptide linker cleavable by lysosomal proteases. Upon cleavage, the pyrrolobenzodiazepine (PBD) warhead is released, which binds DNA in the minor groove and induces lethal crosslinks. Mal-PEG4-VA-PBD provides high stability in circulation and efficient intracellular release, making it a valuable tool for targeted cancer therapeutic research.