
Methyltetrazine-PEG24-NH-Boc
| Catalog Number | R08-0025 |
| Category | Tetrazines |
| Molecular Formula | C₆₂H₁₁₃N₅O₂₆ |
| Molecular Weight | 1344.58 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG24-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG24-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C |
| InChI | InChI=1S/C62H113N5O26/c1-57-64-66-60(67-65-57)58-5-7-59(8-6-58)92-56-55-91-54-53-90-52-51-89-50-49-88-48-47-87-46-45-86-44-43-85-42-41-84-40-39-83-38-37-82-36-35-81-34-33-80-32-31-79-30-29-78-28-27-77-26-25-76-24-23-75-22-21-74-20-19-73-18-17-72-16-15-71-14-13-70-12-11-69-10-9-63-61(68)93-62(2,3)4/h5-8H,9-56H2,1-4H3,(H,63,68) |
| InChIKey | LWOANXXOJMDCNB-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
Methyltetrazine-PEG24-NH-Boc is a PEGylated methyltetrazine click chemistry reagent designed for bioorthogonal inverse-electron-demand Diels–Alder reactions with strained dienes such as trans-cyclooctenes. The molecule combines a tetrazine warhead for fast, selective reactivity with a long, hydrophilic PEG spacer that improves solubility and reduces nonspecific interactions in complex biological media. The terminal NH-Boc functionality provides a protected amine handle that supports downstream conjugation workflows, making this reagent well suited for building imaging probes, labeling reagents, and modular biomaterials.
1. Pre-Targeting Imaging Probes
Methyltetrazine-PEG24-NH-Boc is commonly used to prepare tetrazine-bearing components for modular pre-targeting imaging workflows, where a tetrazine handle is introduced onto a targeting scaffold or carrier prior to reaction with a complementary strained-diene imaging partner. The PEG24 spacer helps maintain colloidal stability and reduces aggregation during probe formulation, while the Boc-protected amine enables controlled functionalization to tune charge and conjugation density. Researchers in molecular imaging and chemical biology use this reagent to generate conjugates that can be further linked to dyes, affinity tags, or imaging moieties through the amine handle, supporting streamlined probe assembly for in vitro and ex vivo labeling studies.
2. Surface And Material Functionalization
Methyltetrazine-PEG24-NH-Boc is applied to functionalize polymeric and biomaterial surfaces with tetrazine reactive groups for subsequent click attachment of strained-diene ligands, reporters, or crosslinking partners. The PEG spacer is particularly useful for creating antifouling-like interfaces and for presenting the tetrazine warhead away from the surface, improving accessibility in protein-rich environments. Materials scientists and biomaterials developers leverage the Boc-protected amine to incorporate the reagent into surface chemistries that require an orthogonal, protected functional group, enabling fabrication of reactive coatings, hydrogel components, and multivalent surfaces for labeling and assay development.
3. Biomolecule Labeling Workflows
Methyltetrazine-PEG24-NH-Boc supports labeling strategies that require a stable, water-soluble tetrazine reagent for attaching functional payloads to biomolecules already bearing a complementary strained diene. The PEG24 chain improves handling in aqueous buffers and helps mitigate nonspecific binding, which is valuable when labeling proteins, peptides, or other macromolecular constructs in complex mixtures. Chemical biology groups use Methyltetrazine-PEG24-NH-Boc as a modular reagent to introduce a tetrazine handle that can be coupled to downstream reporters or affinity elements via the protected amine, facilitating consistent conjugate preparation across multiple experimental batches.
4. Diagnostic Reagent Conjugates
Methyltetrazine-PEG24-NH-Boc is used in the development of diagnostic reagent platforms that rely on bioorthogonal conjugation to assemble detection components with controlled stoichiometry. The reagent’s tetrazine functionality enables rapid, selective coupling to strained-diene partners, while the PEG spacer supports reagent solubility and reduces matrix effects during reagent formulation. Diagnostic reagent developers and assay engineers incorporate Methyltetrazine-PEG24-NH-Boc into conjugation schemes to generate intermediate building blocks that can be further derivatized through the Boc-protected amine, supporting the construction of multicomponent assay reagents such as labeling conjugates and probe intermediates.
Computed Properties
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 76 |
| Exact Mass | 1343.76737873 g/mol |
| Monoisotopic Mass | 1343.76737873 g/mol |
| Topological Polar Surface Area | 311Ų |
| Heavy Atom Count | 93 |
| Formal Charge | 0 |
| Complexity | 1500 |
| 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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