
Methyltetrazine-PEG12-amine HCl salt
| Catalog Number | R08-0040 |
| Category | Tetrazines |
| Molecular Formula | C33H58ClN5O12 |
| Molecular Weight | 752.3 |
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Product Introduction
Methyltetrazine-PEG12-Amine-HCl salt is an aqueous souluble PEG linker containing a free amine and a methyltetrazine group. Methyl group improves the stability and hydrophilic PEG spacer increases water-solubility. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene), the amine (NH2) group is reactive with carboxylic acid containing molecule in the presence of reagnet such as EDC or HATU.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 96% |
| IUPAC Name | 2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C33H57N5O12/c1-30-35-37-33(38-36-30)31-2-4-32(5-3-31)50-29-28-49-27-26-48-25-24-47-23-22-46-21-20-45-19-18-44-17-16-43-15-14-42-13-12-41-11-10-40-9-8-39-7-6-34/h2-5H,6-29,34H2,1H3 |
| InChIKey | OOYKOEQEEWHQMP-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
Product Specification
| Storage | -20 °C |
Application
Methyltetrazine-PEG12-amine HCl salt is a PEGylated methyltetrazine click chemistry reagent designed for bioorthogonal inverse-electron-demand Diels–Alder ligation with strained alkenes such as trans-cyclooctene or bicyclononyne. The reagent couples a tetrazine warhead to a long, hydrophilic PEG12 spacer and a primary amine handle, enabling robust conjugation to biomolecules, surfaces, and polymeric materials prior to tetrazine-mediated labeling. Its water-compatible salt form and flexible linker architecture make it widely used in molecular imaging probe construction, multistep bioconjugation workflows, and modular material functionalization where fast, selective click coupling is required.
1. Antibody And Protein Labeling
Methyltetrazine-PEG12-amine HCl salt is commonly used to prepare tetrazine-functional protein conjugates for downstream click labeling of antibodies, antibody fragments, and affinity binders. The PEG12 spacer helps reduce steric congestion around the tetrazine moiety, supporting efficient coupling to strained-alkene partners during probe assembly. Researchers often employ the amine functionality for attachment to activated carriers or for incorporation into protein conjugation strategies, then use the tetrazine for rapid, selective installation of imaging tags or enrichment handles in complex biological sample workflows.
2. Targeted Imaging Probe Construction
Methyltetrazine-PEG12-amine HCl salt is well suited for building modular molecular imaging reagents where orthogonal conjugation steps are needed to control labeling density and preserve probe properties. The tetrazine provides a convenient “click-ready” group for attaching fluorophores, affinity tags, or imaging scaffolds that contain a complementary strained alkene. The PEG12 chain improves solubility and can help maintain probe behavior in aqueous labeling buffers, making the reagent a practical choice for generating libraries of imaging constructs used in chemical biology research and assay development.
3. Cell Surface And Biomaterial Functionalization
Methyltetrazine-PEG12-amine HCl salt is frequently incorporated into surface and biomaterial modification workflows to introduce tetrazine-reactive sites for subsequent click patterning. The combination of a primary amine and a hydrophilic PEG spacer supports coupling to many material platforms, including functionalized polymers, coatings, and scaffold chemistries that rely on amine-reactive intermediates. After immobilization, the tetrazine group enables selective attachment of strained-alkene components, supporting spatially controlled labeling of materials and the creation of multicomponent biointerfaces for research-grade assays and materials studies.
4. Multistep Bioconjugation Platforms
Methyltetrazine-PEG12-amine HCl salt is used as a versatile intermediate in multistep bioconjugation platforms that require sequential installation of multiple functional elements. The reagent’s tetrazine functionality supports late-stage click coupling, while the PEG12-amine architecture provides a convenient handle for pre-conjugation to carriers such as nanoparticles, polymer backbones, or targeting scaffolds. This design aligns with common downstream development workflows in chemical biology and molecular imaging, where modular assembly and controlled stoichiometry are important for generating reproducible reagents for labeling, enrichment, and analytical studies.
Computed Properties
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 37 |
| Exact Mass | 715.40037227 g/mol |
| Monoisotopic Mass | 715.40037227 g/mol |
| Topological Polar Surface Area | 188Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 696 |
| 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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