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Home/Compounds/Research Reagent/MC-Val-Cit-PAB-duocarmycin
C54H65Cl2N9O9
1055.1 g/mol
Research Reagent

MC-Val-Cit-PAB-duocarmycin

CAS2055896-98-3
Category
Research Reagent
Compound Class
Other
Primary Use
Research Compound

This compound is a research reagent designed as a linker-payload for antibody-drug conjugates, combining a protease-cleavable valine-citrulline linker with a duocarmycin-based cytotoxic agent. Its structure includes a maleimide group for antibody conjugation, a self-immolative para-aminobenzyl carbamate spacer, and a DNA-alkylating duocarmycin moiety, and is presented as a chloride salt.

Antibody-drug conjugate (ADC) linker-payload researchLaboratory reagent for targeted drug delivery studies

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Identifiers
IUPAC Name

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]oxy]ethyl]-dimethylazanium chloride

InChIKey

UNCKJRMATSMWHA-QMUBXYOZSA-N

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)C[N+](C)(C)CCOC2=CC3=C(C=C2)NC(=C3)C(=O)N4C[C@H](C5=C4C=C(C6=CC=CC=C65)O)CCl)NC(=O)CCCCCN7C(=O)C=CC7=O.[Cl-]

Synonyms (3)
  • MC-Val-Cit-PAB-duocarmycin