Mal-PEG4-VC-PAB-DMEA-PNU-159682

• CAT Number: I017838
• CAS Number: 2259318-52-8
• Molecular Formula: C74H98N10O27
• Molecular Weight: 1559.62
• Purity: ≥95%
• 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)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
• InChI: InChI=1S/C74H98N10O27/c1-41(2)61(80-53(87)20-27-102-30-32-104-34-35-105-33-31-103-28-22-76-52(86)19-23-84-54(88)17-18-55(84)89)68(95)79-47(11-9-21-77-71(75)96)67(94)78-44-15-13-43(14-16-44)39-107-72(97)81(4)24-25-82(5)73(98)108-40-51(85)74(99)37-46-58(65(93)60-59(63(46)91)62(90)45-10-8-12-49(100-6)57(45)64(60)92)50(38-74)110-56-36-48-66(42(3)109-56)111-69-70(101-7)106-29-26-83(48)69/h8,10,12-18,41-42,47-48,50,56,61,66,69-70,91,93,99H,9,11,19-40H2,1-7H3,(H,76,86)(H,78,94)(H,79,95)(H,80,87)(H3,75,77,96)/t42-,47-,48-,50-,56-,61-,66+,69+,70-,74-/m0/s1
• InChIKey: GIXBUAYRIIAYTE-QIBFXJAHSA-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)CCOCCOCCOCCOCCNC(=O)CCN8C(=O)C=CC8=O)O)N9CCOC(C9O2)OC

Mal-PEG4-VC-PAB-DMEA-PNU-159682, a agent-linker conjugate for ADC, consists the ADC linker Mal-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[1].

Reference

[1]. John Flygare, et al. Anthracycline disulfide intermediates, antibody-drug conjugates and methods. WO2016040825A1