
DBCO-PEG3-oxyamine | CAS 2748394-67-2
| Catalog Number | R01-0276 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C29H36N4O7 |
| Molecular Weight | 552.62 |
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Product Introduction
DBCO-PEG3-oxyamine is a heterobifunctional ADC linker with DBCO for SPAAC and oxyamine for oxime ligation, supporting versatile and stable antibody-payload conjugations in ADC development.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | >98.0% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CON |
| InChI | InChI=1S/C29H36N4O7/c30-40-22-28(35)32-14-16-38-18-20-39-19-17-37-15-13-31-27(34)11-12-29(36)33-21-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)33/h1-8H,11-22,30H2,(H,31,34)(H,32,35) |
| InChIKey | JRBITMATWRXIQO-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Light yellow oil |
Product Specification
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
Application
DBCO-PEG3-oxyamine is a polyethylene glycol (PEG)-spaced cyclooctyne (DBCO) click handle paired with an oxyamine functional group, enabling bioorthogonal conjugation workflows where DBCO reacts with azide partners and the oxyamine is leveraged for subsequent chemoselective labeling strategies. The reagent’s flexible PEG3 spacer improves accessibility of the reactive groups in aqueous environments, which is valuable for building well-defined conjugates for chemical biology, biomaterials, and imaging tool development. As a research-grade click chemistry intermediate, DBCO-PEG3-oxyamine is commonly used to prepare functionalized linkers, probes, and surfaces that require orthogonal reactivity and controlled presentation of reactive handles.
1. Bioorthogonal Probe Labeling
DBCO-PEG3-oxyamine is used to generate modular labeling reagents for chemical biology and molecular imaging research, where a DBCO handle enables efficient attachment to azide-tagged biomolecules, nanoparticles, or affinity reagents. The PEG3 spacing helps maintain probe solubility and reduces steric hindrance, supporting consistent conjugation in complex buffers typical of assay development. The oxyamine functionality provides an additional reactive handle that can be incorporated into multistep workflows for probe optimization, such as introducing new recognition motifs, affinity elements, or reporter groups while preserving the original targeting or binding features.
2. Surface And Material Functionalization
DBCO-PEG3-oxyamine is widely applied in biomaterials science to functionalize polymeric and solid-phase surfaces that present azide groups, including patterned coatings, hydrogel components, and derivatized scaffold materials used in materials biology. The reagent’s PEG3 linker is particularly relevant when immobilized conjugates must remain accessible to macromolecular partners, such as enzymes, binding proteins, or cell-interaction ligands, during downstream characterization. Incorporating oxyamine-bearing linkers into surface chemistries supports the creation of multi-functional materials that can be further processed into diagnostic-relevant reagents, affinity capture surfaces, or responsive labeling platforms.
3. Multistep Conjugate Building
DBCO-PEG3-oxyamine supports iterative conjugation strategies in research settings where orthogonal functional groups are needed to assemble complex constructs from multiple components. The DBCO moiety provides a reliable click handle for coupling to azide-bearing building blocks, while the oxyamine offers a complementary functionality that can be carried through subsequent derivatization steps without losing the initial conjugation identity. This makes DBCO-PEG3-oxyamine a practical choice for constructing bifunctional linkers used in probe libraries, reagent panels for assay development, and customizable conjugate formats for mechanistic studies and platform validation.
4. Molecular Imaging Reagent Development
DBCO-PEG3-oxyamine is employed in the development of imaging and detection reagents that require robust, modular attachment to azide-functional targets such as labeling scaffolds, targeting ligands, or imaging-compatible carriers. The PEG3 spacer helps reduce nonspecific aggregation and improves the presentation of reactive groups, which is beneficial when preparing conjugates for fluorescence, luminescence, or other signal-generation modalities used in laboratory imaging workflows. The oxyamine functionality further enables the integration of additional chemical features into imaging reagent designs, allowing researchers to tailor conjugate composition for imaging workflow compatibility and signal readout optimization.
Computed Properties
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 17 |
| Exact Mass | 552.25839950 g/mol |
| Monoisotopic Mass | 552.25839950 g/mol |
| Topological Polar Surface Area | 141Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 858 |
| 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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