
Methyltetrazine-PEG6-DBCO
| Catalog Number | R01-0335 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C40H46N6O8 |
| Molecular Weight | 738.8 |
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Product Introduction
Methyltetrazine-PEG6-DBCO is a bifunctional reagent featuring a methyltetrazine moiety and a dibenzocyclooctyne (DBCO) group, connected via a polyethylene glycol (PEG6) linker. The methyltetrazine component participates in inverse electron-demand Diels–Alder reactions, while the DBCO group is reactive in strain-promoted azide-alkyne cycloaddition, facilitating bioorthogonal conjugation strategies. This reagent is used in the context of bioconjugation, enabling the site-specific labeling of biomolecules and supporting the development of complex macromolecular assemblies.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C40H46N6O8/c1-31-42-44-40(45-43-31)34-12-14-36(15-13-34)54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-41-38(47)16-17-39(48)46-30-35-8-3-2-6-32(35)10-11-33-7-4-5-9-37(33)46/h2-9,12-15H,16-30H2,1H3,(H,41,47) |
| InChIKey | LYAWWCSDTUVKQV-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
Methyltetrazine-PEG6-DBCO is a bifunctional click chemistry reagent that combines a tetrazine handle with a DBCO (dibenzocyclooctyne) group linked through a PEG6 spacer. It is designed for bioorthogonal click workflows that leverage tetrazine-based inverse electron-demand Diels–Alder reactivity, enabling controlled conjugation and labeling in complex chemical and biological environments. The PEG6 linker improves aqueous compatibility and provides spatial separation between functional groups, which is valuable for constructing modular probes, surface coatings, and multivalent bioconjugates with reduced steric hindrance.
1. Multivalent Probe Labeling
Methyltetrazine-PEG6-DBCO is frequently used to build multivalent imaging and detection probes where controlled spacing between reactive motifs improves labeling efficiency and signal robustness. Researchers incorporate the PEG6-tethered tetrazine/DBCO architecture into probe platforms that require sequential or orthogonal conjugation steps, such as attaching targeting ligands, affinity tags, or reporter payloads to a common scaffold. The reagent’s dual functionality supports workflows that benefit from modular assembly, including preparation of intermediate conjugates for downstream coupling to biomolecules, polymers, or nanoparticles used in chemical biology and molecular imaging tool development.
2. Surface And Material Functionalization
Methyltetrazine-PEG6-DBCO is well suited for functionalizing polymeric and biomaterial surfaces with reactive click handles for subsequent capture, patterning, or assembly. Materials scientists use this reagent to introduce DBCO and tetrazine functionalities onto hydrophilic coatings and PEG-containing layers, where the spacer helps maintain accessibility of the reactive groups at the interface. Such surface-modified materials are commonly employed to create addressable material platforms, to immobilize capture reagents for assay development, or to generate standardized reactive surfaces for high-throughput labeling of macromolecules and surface-presenting constructs.
3. Bioconjugation For Modular Assembly
Methyltetrazine-PEG6-DBCO supports modular bioconjugation strategies that require reliable attachment of functional groups to proteins, peptides, and other macromolecular carriers. In chemical biology workflows, the PEG6 linker helps reduce steric constraints during conjugation, which is particularly important when installing bulky payloads or when maintaining accessibility of binding domains in conjugated constructs. The reagent is commonly selected when teams need a convenient intermediate that can be carried through multiple assembly steps, enabling the preparation of defined conjugate architectures for labeling reagents, affinity reagents, and research-grade molecular tools.
4. Nanoparticle And Polymer Conjugates
Methyltetrazine-PEG6-DBCO is used to engineer nanoparticle and polymer conjugates that require click-reactive handles for controlled functionalization and multistep assembly. Researchers incorporate the reagent into surface or shell modifications to install tetrazine/DBCO groups on colloidal platforms, facilitating subsequent coupling to complementary ligands, imaging reporters, or assay components. The PEG6 spacer is particularly valuable in these contexts because it can improve colloidal stability and help present reactive moieties away from the particle surface, supporting reproducible conjugation and consistent performance across batches in research and industrial R&D settings.
Computed Properties
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 23 |
| Exact Mass | 738.33771245 g/mol |
| Monoisotopic Mass | 738.33771245 g/mol |
| Topological Polar Surface Area | 156Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1140 |
| 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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