Mal-Phe-C4-VC-PAB-MMAE

• CAT Number: I017839
• CAS Number: 2259318-51-7
• Molecular Formula: C72H105N11O15
• Molecular Weight: 1364.67
• Purity: ≥95%
• Synonyms: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoylamino]-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/C72H105N11O15/c1-15-45(8)63(55(96-13)40-59(87)82-39-21-26-54(82)65(97-14)46(9)66(89)75-47(10)64(88)50-23-17-16-18-24-50)80(11)70(93)61(43(4)5)79-69(92)62(44(6)7)81(12)72(95)98-41-49-28-32-51(33-29-49)76-67(90)53(25-20-38-74-71(73)94)77-68(91)60(42(2)3)78-56(84)27-19-22-48-30-34-52(35-31-48)83-57(85)36-37-58(83)86/h16-18,23-24,28-37,42-47,53-55,60-65,88H,15,19-22,25-27,38-41H2,1-14H3,(H,75,89)(H,76,90)(H,77,91)(H,78,84)(H,79,92)(H3,73,74,94)/t45-,46+,47+,53-,54-,55+,60-,61-,62-,63-,64+,65+/m0/s1
• InChIKey: NGSQUXLVAHZKMZ-CZNGMLIJSA-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)CCCC4=CC=C(C=C4)N5C(=O)C=CC5=O

Mal-Phe-C4-VC-PAB-MMAE is made by MMAE conjugated to Mal-Phe-C4-VC-PAB linker. Monomethyl auristatin E (MMAE), a potent tubulin inhibitor, is a toxin payload in antibody agent conjugate.