For research use only. Not for therapeutic Use.
endo-BCN-PEG4-Val-Cit-PAB-MMAE(CAT: I045965) is a cleavable antibody–drug conjugate (ADC) linker–payload system incorporating an endo-bicyclo[6.1.0]nonyne (endo-BCN) group, a four-unit polyethylene glycol (PEG4) spacer, a cathepsin B-sensitive valine–citrulline (Val-Cit) dipeptide linker, a self-immolative para-aminobenzyl (PAB) spacer, and the potent cytotoxin monomethyl auristatin E (MMAE). The endo-BCN group enables strain-promoted click chemistry for site-specific, copper-free bioconjugation, while the Val-Cit-PAB design ensures efficient intracellular release of MMAE upon enzymatic cleavage. This construct offers excellent stability, solubility, and targeted cytotoxicity, making it an advanced tool in cancer research, ADC development, and precision drug delivery strategies for oncology therapeutics.
| CAS Number | 2762519-08-2 |
| Synonyms | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)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 |
| Molecular Formula | C80H127N11O19 |
| Purity | ≥95% |
| IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)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/C80H127N11O19/c1-15-53(8)70(64(103-13)47-66(93)91-38-24-30-63(91)72(104-14)54(9)73(95)84-55(10)71(94)57-25-19-18-20-26-57)89(11)77(99)68(51(4)5)88-76(98)69(52(6)7)90(12)80(102)110-48-56-31-33-58(34-32-56)85-74(96)62(29-23-36-82-78(81)100)86-75(97)67(50(2)3)87-65(92)35-39-105-41-43-107-45-46-108-44-42-106-40-37-83-79(101)109-49-61-59-27-21-16-17-22-28-60(59)61/h18-20,25-26,31-34,50-55,59-64,67-72,94H,15,21-24,27-30,35-49H2,1-14H3,(H,83,101)(H,84,95)(H,85,96)(H,86,97)(H,87,92)(H,88,98)(H3,81,82,100)/t53-,54+,55+,59-,60+,61?,62-,63-,64+,67-,68-,69-,70-,71+,72+/m0/s1 |
| InChIKey | SQKNRIOHJGDSGO-OJFXDSRXSA-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)OCC4C5C4CCC#CCC5 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
