
Methyltetrazine-PEG4-DBCO
| Catalog Number | R01-0336 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C36H38N6O6 |
| Molecular Weight | 650.7 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG4-DBCO is a bifunctional reagent that combines a methyltetrazine moiety with a dibenzocyclooctyne (DBCO) group, connected through a polyethylene glycol (PEG4) spacer. The methyltetrazine unit participates in inverse electron-demand Diels–Alder reactions, facilitating bioorthogonal conjugation with trans-cyclooctenes, while the DBCO group enables strain-promoted azide-alkyne cycloaddition (SPAAC) with azide-functionalized molecules. This dual-reactive architecture supports versatile applications in bioconjugation, allowing for the orthogonal modification of biomolecules, polymers, and surfaces in complex biological systems.
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-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C36H38N6O6/c1-27-38-40-36(41-39-27)30-12-14-32(15-13-30)48-25-24-47-23-22-46-21-20-45-19-18-37-34(43)16-17-35(44)42-26-31-8-3-2-6-28(31)10-11-29-7-4-5-9-33(29)42/h2-9,12-15H,16-26H2,1H3,(H,37,43) |
| InChIKey | YWFLZTDNZPQPCP-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | -20 °C |
Application
Methyltetrazine-PEG4-DBCO is a bifunctional click chemistry reagent that combines a methyltetrazine moiety with a DBCO (dibenzocyclooctyne) handle connected through a PEG4 linker. It is designed for fast, bioorthogonal strain-promoted cycloaddition chemistry and is commonly used in dual-labeling workflows where orthogonal reactivity and modular conjugation are advantageous. The PEG4 spacer improves aqueous compatibility and helps reduce steric constraints when building imaging probes, surface-functionalized materials, and multicomponent bioconjugates.
1. Multistep Probe Assembly
Methyltetrazine-PEG4-DBCO is widely used in sequential labeling strategies for constructing complex molecular imaging probes and research diagnostics tools from multiple components. Researchers often employ the bifunctional architecture to stage conjugation steps, enabling attachment to one target class while leaving the remaining click handle available for a subsequent coupling stage. The PEG4 spacer supports efficient presentation of reactive groups in aqueous buffers, which is particularly useful when probes must retain solubility and accessibility for downstream conjugation to targeting ligands, reporter tags, or scaffold molecules. This reagent format is also practical for generating probe libraries where consistent linker length and handle spacing improve reproducibility across batches.
2. Surface Functionalization And Coatings
Methyltetrazine-PEG4-DBCO is used to functionalize polymer surfaces, nanoparticles, and biomaterial coatings where stable attachment of clickable moieties is required for later assembly. Material scientists and chemical engineers incorporate the DBCO-reactive functionality to immobilize the reagent onto surfaces bearing complementary reactive partners, then use the remaining methyltetrazine functionality to enable further modular coupling to biomolecules or imaging reporters. The PEG4 linker helps mitigate nonspecific aggregation and can improve the accessibility of the reactive handles at the interface, which is valuable for creating uniform functional layers on heterogeneous substrates. Such surface-ready conjugation platforms are commonly applied in materials discovery, coating optimization, and assay development workflows.
3. Protein And Biomolecule Bioconjugation
Methyltetrazine-PEG4-DBCO supports research-grade bioconjugation workflows that require attaching chemical labels to proteins, peptides, and other biomacromolecules with controlled spacing. The PEG4 tether helps reduce steric hindrance around the reactive sites, supporting efficient incorporation into conjugates used for mechanistic studies, molecular tracking, and reagent development. In multicomponent labeling campaigns, the reagent’s dual-click design can simplify experimental design by providing a single conjugation intermediate that can be carried through multiple assembly steps. This makes it a convenient building block for creating labeled biomolecules, affinity reagents, and standardized conjugate controls used across biochemical and chemical biology laboratories.
4. Diagnostic Reagent And Assay Platforms
Methyltetrazine-PEG4-DBCO is used to build assay-ready reagent systems that rely on modular coupling of signal reporters, capture reagents, and scaffold components. In diagnostic reagent development, the ability to introduce click handles with defined linker spacing supports consistent probe architecture, which can improve assay workflow robustness when assembling multiplexed or multi-target formats. The reagent is also used to generate standardized conjugate intermediates that can be further functionalized with fluorescent or affinity tags, enabling flexible adaptation of assay components without redesigning the entire chemistry route. PEG4-mediated solubility and reduced steric crowding support practical handling in typical assay buffer conditions used during reagent screening and optimization.
Computed Properties
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 17 |
| Exact Mass | 650.28528295 g/mol |
| Monoisotopic Mass | 650.28528295 g/mol |
| Topological Polar Surface Area | 138Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1040 |
| 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 |
Recommended Services
Recommended Articles
- Hoechst Dyes: Definition, Structure, Mechanism and Applications
- Mastering the Spectrum: A Comprehensive Guide to Cy3 and Cy5 Dyes
- Fluorescent Probes: Definition, Structure, Types and Application
- Fluorescent Dyes: Definition, Mechanism, Types and Application
- Coumarin Dyes: Definition, Structure, Benefits, Synthesis and Uses
- Unlocking the Power of Fluorescence Imaging: A Comprehensive Guide
- Cell Imaging: Definitions, Systems, Protocols, Dyes, and Applications
- Lipid Staining: Definition, Principles, Methods, Dyes, and Uses
- Flow Cytometry: Definition, Principles, Protocols, Dyes, and Uses
- Nucleic Acid Staining: Definition, Principles, Dyes, Procedures, and Uses
Recommended Products
Online Inquiry