
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine
| Catalog Number | R08-0018 |
| Category | Tetrazines |
| Molecular Formula | C47H62N6O13S |
| Molecular Weight | 951.1 |
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Product Introduction
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine features a methyltetrazine moiety, enabling it to participate in inverse electron-demand Diels–Alder reactions with trans-cyclooctenes. This reagent incorporates an 8-unit polyethylene glycol (PEG) linker, enhancing solubility and flexibility for bioconjugation applications. It is commonly used in the modification of biomolecules and surfaces, facilitating efficient labeling and conjugation processes in bioorthogonal chemistry.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| IUPAC Name | 4-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C2=CC=C(C=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C |
| InChI | InChI=1S/C47H62N6O13S/c1-36-4-14-43(15-5-36)67(57,58)35-37(2)45(55)40-10-12-42(13-11-40)47(56)48-17-19-60-21-23-62-25-27-64-29-31-66-33-32-65-30-28-63-26-24-61-22-20-59-18-16-44(54)49-34-39-6-8-41(9-7-39)46-52-50-38(3)51-53-46/h4-15H,2,16-35H2,1,3H3,(H,48,56)(H,49,54) |
| InChIKey | JIYMLIPJZIKWMK-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine is a PEG8-based methyltetrazine click chemistry reagent designed for bioorthogonal labeling workflows, commonly used in tetrazine-driven inverse electron-demand click chemistry. Its mono-sulfone handle and amide-linked PEG spacer provide aqueous compatibility and tunable accessibility to biomolecular targets, making it well-suited for modular probe and conjugate assembly. Researchers and imaging-focused laboratories frequently select methyltetrazine-functional reagents like this one to enable rapid, selective coupling to complementary strained partners under conditions compatible with complex biological matrices.
1. Molecular Imaging Probe Labeling
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine is used to introduce a methyltetrazine reactive handle into imaging probes for fluorescence, luminescence, or multimodal contrast agent development. The PEG8 spacer helps maintain probe solubility and reduces steric congestion, which is valuable when labeling antibodies, affinity reagents, or scaffolded targeting ligands that must retain binding characteristics. In molecular imaging research, this reagent is commonly incorporated during probe synthesis so that downstream conjugation can be performed with a complementary click partner at the final stage, supporting flexible swapping of reporters and targeting modules without redesigning the entire construct.
2. Antibody And Affinity Reagent Conjugation
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine supports site-specific and modular conjugation strategies for antibodies and other affinity reagents used in chemical biology. By installing a tetrazine moiety on a carrier or intermediate, teams can generate conjugates that are compatible with streamlined labeling pipelines, including workflows where the reporter is attached after the targeting component is prepared. The PEG8-amide architecture is particularly relevant for maintaining aqueous handling and minimizing aggregation during conjugate preparation, which is often critical for reagent reproducibility in high-throughput assay development and panel-based reagent generation.
3. Cell Surface And Biomolecule Tagging
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine is applied in experiments that require labeling of cell-associated biomolecules or extracellular components using bioorthogonal click chemistry. The methyltetrazine functionality enables selective coupling to appropriate strained partners to create fluorescent or affinity-tagged readouts for tracking biomolecule localization, turnover, or interaction dynamics in complex experimental systems. The PEG8 spacer and amide linkage are used to improve reagent accessibility and solubility in aqueous buffers, helping researchers achieve consistent tagging across different labeling formats such as soluble probes, polymeric carriers, or scaffolded ligands.
4. Diagnostic Reagent And Assay Development
Active-Mono-Sulfone-PEG8-amido-Methyltetrazine is used as a reactive intermediate for building diagnostic and analytical reagents that rely on modular conjugation. In assay development pipelines, methyltetrazine-functional components are commonly prepared ahead of time and then clicked to complementary partners that carry signal reporters, capture elements, or separation tags, enabling rapid optimization of assay formats. The PEG8-based design supports practical handling during reagent formulation and helps maintain stable conjugate behavior during storage and assay execution, which is important for reproducible performance in research-grade diagnostic workflows.
Computed Properties
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 36 |
| Exact Mass | 950.40955723 g/mol |
| Monoisotopic Mass | 950.40955723 g/mol |
| Topological Polar Surface Area | 243Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1480 |
| 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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