For research use only. Not for therapeutic Use.
Mal-Phe-C4-VC-PAB-MMAE（Cat No.:I017839）is a cleavable antibody–drug conjugate (ADC) linker–payload system engineered for targeted cancer therapy research. It contains a maleimide (Mal) for conjugation to antibody cysteine residues, a phenylalanine-based C4 spacer (Phe-C4) for optimized stability and flexibility, and a valine-citrulline (VC) dipeptide linked to a para-aminobenzyloxycarbonyl (PAB) self-immolative spacer. Upon intracellular cleavage, it releases monomethyl auristatin E (MMAE), a potent microtubule-disrupting cytotoxin. This modular design ensures stability in circulation and controlled payload release, making it a valuable system for ADC development in oncology research.
| CAS Number | 2259318-51-7 |
| 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 |
| Molecular Formula | C72H105N11O15 |
| Purity | ≥95% |
| IUPAC Name | [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 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC4=CC=C(C=C4)N5C(=O)C=CC5=O |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
