
DBCO-C2-PEG4-NH-Boc
| Catalog Number | R01-0349 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₇H₄₉N₃O₁₀ |
| Molecular Weight | 695.80 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-C2-PEG4-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C2-PEG4-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | 2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyl 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C37H49N3O10/c1-37(2,3)50-36(44)39-17-20-46-23-25-48-27-26-47-24-22-45-19-16-35(43)49-21-18-38-33(41)14-15-34(42)40-28-31-10-5-4-8-29(31)12-13-30-9-6-7-11-32(30)40/h4-11H,14-28H2,1-3H3,(H,38,41)(H,39,44) |
| InChIKey | GFZMFDYOEBJGCF-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
DBCO-C2-PEG4-NH-Boc is a strained-alkyne (DBCO) click chemistry reagent designed for copper-free strain-promoted azide–alkyne cycloaddition (SPAAC). The molecule incorporates a flexible PEG4 spacer and a protected amine (Boc), which helps control conjugation handle availability and improves solubility and bioconjugation compatibility. This reagent is commonly used to introduce DBCO-functional groups onto surfaces, biomolecules, and materials, enabling subsequent attachment to azide-bearing partners for probe, linker, and platform construction in chemical biology and molecular imaging workflows.
1. Surface And Material Functionalization
DBCO-C2-PEG4-NH-Boc is widely used to functionalize polymers, hydrogels, and solid supports where a stable, click-reactive DBCO handle is required for later coupling. The PEG4 spacer supports efficient presentation of the reactive group at the material interface, which is particularly valuable for generating uniform grafting densities and reducing steric hindrance during SPAAC with azide-functional targets. Researchers also employ this reagent as a modular intermediate for building reusable material platforms, such as azide-reactive coatings and patterned surfaces used in assay development, biosensor fabrication, and affinity capture workflows.
2. Bioconjugation With Azide Tags
DBCO-C2-PEG4-NH-Boc is used in bioconjugation workflows to connect biomolecules or biomolecular assemblies to azide-bearing partners without copper, supporting compatibility with sensitive proteins, peptides, and nucleic-acid-derived constructs. The PEG4 linker improves aqueous handling and helps maintain accessibility of the DBCO moiety, which can be important when conjugating bulky or multivalent targets. The Boc-protected amine provides a protected functional group that can be leveraged during downstream derivatization steps, allowing sequential build-out of conjugates for research-grade labeling strategies and multi-component probe assembly.
3. Linker Platforms For Molecular Imaging
DBCO-C2-PEG4-NH-Boc is commonly incorporated into molecular imaging and diagnostic-reagent development pipelines as a click-ready linker component for attaching imaging scaffolds to azide-functional targeting units. The reagent’s PEG-based spacing helps reduce non-specific interactions and improves the effective reach of the conjugation handle, which is beneficial when constructing conjugates that must maintain defined geometry between targeting and reporter moieties. In practice, this DBCO-bearing reagent is selected to streamline assembly of complex probe architectures by enabling modular coupling to azide-functional dyes, reporter tags, or imaging-relevant reporters under copper-free conditions.
4. PEG-Based Probe And Assay Building
DBCO-C2-PEG4-NH-Boc supports the construction of PEGylated probe libraries and assay reagents where solubility, reduced aggregation, and controlled conjugation are key design criteria. The combination of DBCO click reactivity with a PEG4 spacer makes it suitable for generating well-behaved conjugates that can be incorporated into labeling kits, reagent panels, and workflow-compatible detection constructs. The Boc-protected amine also offers a convenient protected handle for orthogonal or sequential functionalization strategies, enabling researchers to tailor probe properties such as charge distribution and reactive-site availability during assay development and chemical biology studies.
Computed Properties
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 24 |
| Exact Mass | 695.34179477 g/mol |
| Monoisotopic Mass | 695.34179477 g/mol |
| Topological Polar Surface Area | 151Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1110 |
| 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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