Ac-Lys-Val-Cit-PABC-MMAE

For research use only. Not for therapeutic Use.

  • CAT Number: I043401
  • CAS Number: 1650569-89-3
  • Molecular Formula: C66H108N12O14
  • Molecular Weight: 1293.64
  • Purity: ≥95%
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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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