For research use only. Not for therapeutic Use.
endo-BCN-PEG4-Val-Cit-PAB-MMAE is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1]. endo-BCN-PEG4-Val-Cit-PAB-MMAE is a click chemistry reagent, it contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker[1].
| Catalog Number | I045965 |
| 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% |
| 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 |
| Reference | [1]. Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337. |
