Dibenzocyclooctyne-maleimide is widely used in bioorthogonal chemistry for site-specific conjugation of biomolecules. Its primary application lies in labeling and modifying proteins, peptides, and antibodies without interfering with biological processes. The dibenzocyclooctyne (DBCO) group reacts selectively with azides through a copper-free click reaction, making it ideal for live cell labeling where copper toxicity is a concern. The maleimide moiety allows for strong thioether bond formation with cysteine residues, enabling stable linkage to thiol-containing molecules.

This reagent is commonly used in drug delivery systems, especially in the development of antibody-drug conjugates (ADCs), where precise attachment of cytotoxic agents to targeting antibodies is crucial. It is also employed in imaging applications, such as fluorescent tagging for cellular tracking and diagnostics, due to its fast kinetics and high selectivity. Additionally, it supports the construction of bioconjugate-based sensors and functionalized biomaterials in research settings.