MAL-di-EG-Val-Cit-PAB-MMAE

• CAT Number: I046363
• CAS Number: 2746391-62-6
• Molecular Formula: C72H112N12O18
• Molecular Weight: 1433.73
• Purity: ≥95%
• Synonyms: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]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/C72H112N12O18/c1-15-46(8)63(54(98-13)41-59(89)83-35-20-24-53(83)65(99-14)47(9)66(91)76-48(10)64(90)50-21-17-16-18-22-50)81(11)70(95)61(44(4)5)80-69(94)62(45(6)7)82(12)72(97)102-42-49-25-27-51(28-26-49)77-67(92)52(23-19-33-75-71(73)96)78-68(93)60(43(2)3)79-56(86)32-37-100-39-40-101-38-34-74-55(85)31-36-84-57(87)29-30-58(84)88/h16-18,21-22,25-30,43-48,52-54,60-65,90H,15,19-20,23-24,31-42H2,1-14H3,(H,74,85)(H,76,91)(H,77,92)(H,78,93)(H,79,86)(H,80,94)(H3,73,75,96)/t46-,47+,48+,52-,53-,54+,60-,61-,62-,63-,64+,65+/m0/s1
• InChIKey: KSUNEBGJOUXPPQ-NGASZDMPSA-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)CCOCCOCCNC(=O)CCN4C(=O)C=CC4=O

MAL-di-EG-Val-Cit-PAB-MMAE consists the ADCs linker (MAL-di-EG-Val-Cit-PAB) and potent tubulin inhibitor (MMAE).