TCO-PEG4-VC-PAB-MMAE

• CAT Number: I042906
• CAS Number: 2758671-45-1
• Molecular Formula: C78H127N11O19
• Molecular Weight: 1522.91
• Purity: ≥95%
• Synonyms: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• InChI: InChI=1S/C78H127N11O19/c1-15-53(8)68(62(101-13)48-64(91)89-39-25-31-61(89)70(102-14)54(9)71(93)82-55(10)69(92)57-26-20-19-21-27-57)87(11)75(97)66(51(4)5)86-74(96)67(52(6)7)88(12)78(100)107-49-56-32-34-58(35-33-56)83-72(94)60(30-24-37-80-76(79)98)84-73(95)65(50(2)3)85-63(90)36-40-103-42-44-105-46-47-106-45-43-104-41-38-81-77(99)108-59-28-22-17-16-18-23-29-59/h16-17,19-21,26-27,32-35,50-55,59-62,65-70,92H,15,18,22-25,28-31,36-49H2,1-14H3,(H,81,99)(H,82,93)(H,83,94)(H,84,95)(H,85,90)(H,86,96)(H3,79,80,98)/b17-16+/t53-,54+,55+,59?,60-,61-,62+,65-,66-,67-,68-,69+,70+/m0/s1
• InChIKey: RCUWIJNSWOFTSK-CYFMCQSESA-N
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)OC4CCCC=CCC4

TCO-PEG4-VC-PAB-MMAE is a agent-linker conjugate for ADC. TCO-PEG4-VC-PAB-MMAE contains a cleavable ADC linker (TCO-PEG4-VC-PA) and a potent tubulin inhibitor MMAE (HY-15162)[1]. TCO-PEG4-VC-PAB-MMAE is a click chemistry reagent, it contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups.
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

Reference

[1]. Yang Yi, et al. Preparation of site-specific antibody conjugates. Patent WO2022037665.