For research use only. Not for therapeutic Use.
Ac-Lys-Val-Cit-PABC-MMAE(Cat No.:I043401)is a potent drug conjugate used in targeted cancer therapy. It consists of a peptide sequence (Ac-Lys-Val-Cit), which serves as a linker to selectively deliver the cytotoxic agent MMAE (monomethyl auristatin E) to cancer cells. The PABC (para-aminobenzyl carbamate) spacer is included to facilitate the release of MMAE once the conjugate reaches the target cells. The peptide sequence targets specific tumor markers, and upon internalization, MMAE disrupts microtubule function, leading to cancer cell death. This strategy enhances the efficacy of treatment while minimizing damage to healthy cells.
CAS Number | 1650569-89-3 |
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 |
Molecular Formula | C66H108N12O14 |
Purity | ≥95% |
IUPAC Name | [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 | 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)[C@H](CCCCN)NC(=O)C |
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