
DBCO-PEG12-amine TFA salt
| Catalog Number | R01-0401 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C45H69N3O14 |
| Molecular Weight | 876.1 |
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Product Introduction
DBCO-PEG12-amine TFA salt features a dibenzocyclooctyne (DBCO) moiety, known for its strain-promoted cycloaddition capabilities, making it suitable for bioorthogonal chemistry applications. The compound incorporates a polyethylene glycol (PEG12) spacer, which enhances solubility and flexibility, facilitating diverse conjugation strategies in both aqueous and organic environments. The terminal amine group allows for further functionalization or conjugation to carboxyl-containing biomolecules, supporting applications in bioconjugation and surface modification.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | DBCO-PEG12-amine |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C45H69N3O14/c46-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-35-61-37-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-47-44(49)11-12-45(50)48-39-42-7-2-1-5-40(42)9-10-41-6-3-4-8-43(41)48/h1-8H,11-39,46H2,(H,47,49) |
| InChIKey | SLYZCZRDLYGVGG-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
DBCO-PEG12-amine TFA salt is a strained cyclooctyne (DBCO) click chemistry reagent bearing a long, hydrophilic PEG12 spacer and a terminal primary amine, provided as a trifluoroacetate salt for improved handling. As a copper-free strain-promoted azide–alkyne cycloaddition (SPAAC) partner, it is commonly used to install DBCO-functional handles onto biomolecules, polymers, and surfaces for subsequent azide-based conjugation. The PEG spacer helps reduce nonspecific interactions and improves aqueous solubility, making the reagent particularly relevant for bioconjugation workflows, molecular imaging tool development, and modular materials assembly.
1. Protein And Peptide Labeling
DBCO-PEG12-amine TFA salt is widely used to introduce a stable DBCO handle onto proteins and peptides prior to downstream azide-bearing labeling, enabling modular assembly of fluorescent probes, affinity reagents, and imaging tags. The terminal amine supports common bioconjugation strategies for attaching the PEG–DBCO construct to activated carriers or reactive biomolecule scaffolds, while the PEG12 chain improves colloidal stability and helps maintain biomolecular accessibility during labeling. Researchers frequently pair this reagent with azide-functional dyes, azide-modified targeting ligands, or azide-functional reporter constructs to build multicomponent bioconjugates under copper-free conditions.
2. Antibody Conjugation Platforms
DBCO-PEG12-amine TFA salt is used in antibody and affinity reagent conjugation pipelines to generate DBCO-functional intermediates that can be coupled to azide-containing components with SPAAC compatibility. The PEG12 spacer and amine functionality support flexible conjugate design, including spacing control to reduce steric crowding around the antibody surface and to improve performance of multivalent labeling schemes. This reagent is commonly incorporated into workflows for preparing immunoreagents with defined numbers of attachment points for subsequent azide-tag installation, supporting scalable reagent development for research-grade diagnostic and imaging toolchains.
3. Surface And Material Functionalization
DBCO-PEG12-amine TFA salt serves as a practical building block for functionalizing polymeric materials, nanoparticles, and engineered surfaces with cyclooctyne reactive sites for later azide coupling. Its PEG12 segment can enhance hydration of the modified interface and mitigate nonspecific adsorption, which is valuable when preparing biosensing surfaces, assay substrates, and extracellular-matrix-mimetic materials. The terminal amine enables attachment to a variety of material platforms through standard coupling chemistry, after which the DBCO handle provides a convenient, copper-free route to immobilize azide-functional ligands, capture reagents, or reporter molecules.
4. Molecular Imaging Probe Assembly
DBCO-PEG12-amine TFA salt is frequently selected for assembling molecular imaging and detection probes that require orthogonal, modular coupling steps. By generating a DBCO-functional intermediate, probe designers can later introduce azide-bearing fluorophores, radiolabeling chelates, or other imaging moieties through SPAAC, allowing flexible tuning of probe composition without relying on metal-catalyzed reactions. The PEG12 spacer helps maintain probe solubility and can improve the accessibility of the reactive site for subsequent conjugation, supporting the construction of multicomponent imaging reagents used in research workflows for microscopy, spectroscopy, and analytical readouts.
Computed Properties
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 41 |
| Exact Mass | 875.47795388 g/mol |
| Monoisotopic Mass | 875.47795388 g/mol |
| Topological Polar Surface Area | 186Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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