DBCO-PEG4-Val-Cit-PAB-MMAF

• CAT Number: I015158
• CAS Number: 2244602-23-9
• Molecular Formula: C88H126N12O20
• Molecular Weight: 1672.01
• Purity: ≥95%
• Synonyms: (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
• InChI: InChI=1S/C88H126N12O20/c1-14-59(8)79(71(114-12)53-75(104)99-43-23-31-70(99)80(115-13)60(9)81(105)94-68(86(110)111)52-61-24-16-15-17-25-61)97(10)85(109)77(57(4)5)96-84(108)78(58(6)7)98(11)88(113)120-55-62-32-36-66(37-33-62)92-82(106)67(29-22-41-91-87(89)112)93-83(107)76(56(2)3)95-73(102)40-44-116-46-48-118-50-51-119-49-47-117-45-42-90-72(101)38-39-74(103)100-54-65-28-19-18-26-63(65)34-35-64-27-20-21-30-69(64)100/h15-21,24-28,30,32-33,36-37,56-60,67-68,70-71,76-80H,14,22-23,29,31,38-55H2,1-13H3,(H,90,101)(H,92,106)(H,93,107)(H,94,105)(H,95,102)(H,96,108)(H,110,111)(H3,89,91,112)/t59-,60+,67-,68-,70-,71+,76-,77-,78-,79-,80+/m0/s1
• InChIKey: POOYWMPBBSFMGS-VMBPOYJESA-N
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64

DBCO-PEG4-Val-Cit-PAB-MMAF（Cat No.:I015158）is a cleavable linker–drug conjugate system designed for antibody–drug conjugates (ADCs). It features a dibenzocyclooctyne (DBCO) group for copper-free click chemistry, allowing efficient conjugation to azide-modified antibodies. The PEG4 spacer improves solubility and flexibility, while the valine–citrulline (Val-Cit) dipeptide serves as a cathepsin B–cleavable linker. The para-aminobenzyl (PAB) self-immolative spacer ensures controlled release of monomethyl auristatin F (MMAF), a potent microtubule-disrupting agent. Once internalized, MMAF induces apoptosis in rapidly dividing cancer cells. This construct is widely applied in ADC research and therapeutic development.