Ac-Lys-Val-Cit-PABC-MMAE

• CAT Number: I043401
• CAS Number: 1650569-89-3
• Molecular Formula: C66H108N12O14
• Molecular Weight: 1293.64
• Purity: ≥95%
• Synonyms: [4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-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/C66H108N12O14/c1-16-41(8)56(51(90-14)36-52(80)78-35-23-28-50(78)58(91-15)42(9)59(82)70-43(10)57(81)46-24-18-17-19-25-46)76(12)64(87)54(39(4)5)75-63(86)55(40(6)7)77(13)66(89)92-37-45-29-31-47(32-30-45)72-60(83)49(27-22-34-69-65(68)88)73-62(85)53(38(2)3)74-61(84)48(71-44(11)79)26-20-21-33-67/h17-19,24-25,29-32,38-43,48-51,53-58,81H,16,20-23,26-28,33-37,67H2,1-15H3,(H,70,82)(H,71,79)(H,72,83)(H,73,85)(H,74,84)(H,75,86)(H3,68,69,88)/t41-,42+,43+,48-,49-,50-,51+,53-,54-,55-,56-,57+,58+/m0/s1
• InChIKey: KCGMOXVVJSQNOS-IZNBURIHSA-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)C(CCCCN)NC(=O)C

Ac-Lys-Val-Cit-PABC-MMAE is a agent-linker conjugate for ADC. Ac-Lys-Val-Cit-PABC-MMAE contains the ADC linker (peptide Ac-Lys-Val-Cit-PABC) and a potent tubulin polymerization inhibitor MMAE (HY-15162)[1].

Reference

[1]. Kleniman, et al. Engineered polypeptide conjugates. WO2015015448A2.