Val-Cit-PAB-MMAF sodium

• CAT Number: I043491
• Molecular Formula: C58H91N10NaO13
• Molecular Weight: 1159.39
• Purity: ≥95%
• Synonyms: sodium;(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
• InChI: InChI=1S/C58H92N10O13.Na/c1-14-36(8)49(44(79-12)31-45(69)68-29-19-23-43(68)50(80-13)37(9)51(70)64-42(56(75)76)30-38-20-16-15-17-21-38)66(10)55(74)47(34(4)5)65-54(73)48(35(6)7)67(11)58(78)81-32-39-24-26-40(27-25-39)62-52(71)41(22-18-28-61-57(60)77)63-53(72)46(59)33(2)3;/h15-17,20-21,24-27,33-37,41-44,46-50H,14,18-19,22-23,28-32,59H2,1-13H3,(H,62,71)(H,63,72)(H,64,70)(H,65,73)(H,75,76)(H3,60,61,77);/q;+1/p-1/t36-,37+,41-,42-,43-,44+,46-,47-,48-,49-,50+;/m0./s1
• InChIKey: VKWAOGJXVRQDIB-RKJISGKISA-M
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)[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)N.[Na+]

Val-Cit-PAB-MMAF sodium is a agent-linker conjugate for ADC. Val-Cit-PAB-MMAF sodium contains the ADCs linker (peptide Val-Cit-PAB) and a potent tubulin polymerization inhibitor MMAF (HY-15579)[1]

Reference

[1]. Svetlana Doronina, et al. Monomethylvaline compounds capable of conjugation to ligands. US20050238649A1.