For research use only. Not for therapeutic Use.
DBCO-PEG4-VC-PAB-DMEA-PNU-159682, a agent-linker conjugate for ADC, consists the ADC linker DBCO-PEG4-VC-PAB and a potent ADC cytotoxin DMEA-PNU-159682. DMEA-PNU-159682 includes metabolites of nemorubicin (MMDX) from liver microsomes and ADC cytotoxin PNU-159682. DBCO-PEG4-VC-PAB-DMEA-PNU-159682 is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
| Catalog Number | I017601 |
| CAS Number | 2259318-56-2 |
| Synonyms | [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-[2-[[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate |
| Molecular Formula | C86H106N10O26 |
| Purity | ≥95% |
| InChI | InChI=1S/C86H106N10O26/c1-50(2)73(92-66(99)29-36-114-39-41-116-43-42-115-40-38-113-35-28-65(98)88-31-27-67(100)96-47-55-16-9-8-14-53(55)23-24-54-15-10-11-19-60(54)96)80(106)91-59(18-13-30-89-83(87)107)79(105)90-56-25-21-52(22-26-56)48-118-84(108)93(4)32-33-94(5)85(109)119-49-64(97)86(110)45-58-70(77(104)72-71(75(58)102)74(101)57-17-12-20-62(111-6)69(57)76(72)103)63(46-86)121-68-44-61-78(51(3)120-68)122-81-82(112-7)117-37-34-95(61)81/h8-12,14-17,19-22,25-26,50-51,59,61,63,68,73,78,81-82,102,104,110H,13,18,27-49H2,1-7H3,(H,88,98)(H,90,105)(H,91,106)(H,92,99)(H3,87,89,107)/t51-,59-,61-,63-,68-,73-,78+,81+,82-,86-/m0/s1 |
| InChIKey | MCDUSHLYGKRCLV-LSKFORQBSA-N |
| SMILES | CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)COC(=O)N(C)CCN(C)C(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N8CC9=CC=CC=C9C#CC1=CC=CC=C18)O)N1CCOC(C1O2)OC |
| Reference | [1]. John Flygare, et al. Anthracycline disulfide intermediates, antibody-drug conjugates and methods. WO2016040825A1 |
