
Methyltetrazine-PEG8-DBCO
| Catalog Number | R01-0334 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C44H54N6O10 |
| Molecular Weight | 827.0 |
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Product Introduction
Methyltetrazine-PEG8-DBCO is a bifunctional reagent that combines a methyltetrazine moiety and a dibenzocyclooctyne (DBCO) group linked through an eight-unit polyethylene glycol (PEG) spacer. This reagent participates in bioorthogonal chemistry, enabling strain-promoted azide-alkyne cycloaddition and inverse electron-demand Diels–Alder reactions, facilitating efficient conjugation without the need for copper catalysts. Its PEG linker enhances solubility and flexibility, making it suitable for applications in biomolecule conjugation, surface modification, and polymer functionalization.
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-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C44H54N6O10/c1-35-46-48-44(49-47-35)38-12-14-40(15-13-38)60-33-32-59-31-30-58-29-28-57-27-26-56-25-24-55-23-22-54-21-20-53-19-18-45-42(51)16-17-43(52)50-34-39-8-3-2-6-36(39)10-11-37-7-4-5-9-41(37)50/h2-9,12-15H,16-34H2,1H3,(H,45,51) |
| InChIKey | UPIVBEJTWNIMKG-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
Methyltetrazine-PEG8-DBCO is a bifunctional, PEG8-spaced click chemistry reagent that combines a tetrazine handle with a strained trans-cyclooctene (DBCO) moiety for rapid, bioorthogonal inverse-electron-demand cycloaddition workflows. The extended PEG8 linker supports aqueous solubility and reduces steric effects during labeling, making the conjugate particularly relevant for multistep bioconjugation and modular probe assembly. This reagent is commonly used in molecular imaging, diagnostic reagent development, and biomaterials functionalization where orthogonal click handles enable efficient coupling of biomolecules, nanoparticles, and surfaces under mild conditions.
1. Sequential Probe Labeling
Methyltetrazine-PEG8-DBCO is widely used to build modular probe formats that require sequential click steps, such as preparing a tetrazine-bearing targeting component followed by DBCO-mediated attachment to a secondary scaffold. The PEG8 spacer helps maintain accessibility of the reactive groups, supporting consistent conjugation performance when labeling proteins, peptides, antibodies, or affinity ligands that are sensitive to steric crowding. Researchers also select this reagent for workflows where pre-assembly of one conjugate fragment is followed by downstream attachment to imaging or detection reporters, enabling flexible panel creation for assay development and method optimization.
2. Nanoparticle And Surface Functionalization
Methyltetrazine-PEG8-DBCO supports functionalization of nanoparticles, polymer particles, and solid supports by providing a tethered click handle for attaching biomolecular coatings or multivalent ligands. The PEG8 linker improves dispersion in aqueous media and can reduce nonspecific interactions during conjugation, which is valuable for preparing reproducible reagent batches for research instrumentation and materials studies. In surface engineering contexts, the reagent is used to introduce click-reactive sites that later enable orthogonal coupling to complementary partners, facilitating construction of patterned interfaces, ligand-dense coatings, and multicomponent material constructs for analytical readouts.
3. Imaging Probe Conjugation
Methyltetrazine-PEG8-DBCO is used in molecular imaging and fluorescence/bioluminescence probe development as a convenient handle for assembling imaging-ready constructs from separately prepared components. The conjugate’s dual-click design aligns with common probe pipelines where one fragment carries the complementary click partner, allowing rapid assembly of probe conjugates while minimizing cross-reactivity with native functional groups. PEG8 spacing is particularly useful when the imaging reporter or targeting moiety is bulky, helping preserve binding-site accessibility and improving the practical reliability of conjugate formation for instrument-ready reagent preparation.
4. Diagnostic Reagent Platforms
Methyltetrazine-PEG8-DBCO is applied to the development of diagnostic reagent platforms that rely on click-based immobilization and modular reagent assembly. Many assay workflows benefit from introducing a defined click handle onto capture surfaces, bead-based reagents, or polymer matrices so that complementary reagents can be attached in a controlled manner during assay setup. By using PEG8 spacing to mitigate steric hindrance, this reagent helps maintain effective coupling of detection reagents and supports reproducible generation of conjugate inventories for screening, method development, and assay reagent prototyping in research and industrial laboratory settings.
Computed Properties
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 29 |
| Exact Mass | 826.39014194 g/mol |
| Monoisotopic Mass | 826.39014194 g/mol |
| Topological Polar Surface Area | 175Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1240 |
| 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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