
Methyltetrazine-PEG8-PFP ester | CAS 2353409-49-9
| Catalog Number | R08-0045 |
| Category | Tetrazines |
| Molecular Formula | C₃₄H₄₃F₅N₄O₁₁ |
| Molecular Weight | 778.72 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-PFP ester is a polyethylene glycol (PEG)-based PROTAC linker. Methyltetrazine-PEG8-PFP ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | Perfluorophenyl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate; 2,3,4,5,6-pentafluorophenyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate |
| Purity | 98% |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 3-[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]propanoate |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
| InChI | InChI=1S/C34H43F5N4O11/c1-24-40-42-34(43-41-24)25-2-4-26(5-3-25)53-23-22-52-21-20-51-19-18-50-17-16-49-15-14-48-13-12-47-11-10-46-9-8-45-7-6-27(44)54-33-31(38)29(36)28(35)30(37)32(33)39/h2-5H,6-23H2,1H3 |
| InChIKey | REVQAJYVXWMUAG-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
Methyltetrazine-PEG8-PFP ester is a PEGylated methyltetrazine click chemistry reagent designed for bioorthogonal ligation workflows. The molecule integrates a methyltetrazine motif for fast tetrazine-based click reactions with strained alkene partners, while the PEG8 spacer improves solubility and reduces nonspecific interactions in complex biological or material environments. The PFP ester functionality enables covalent attachment to primary amines on proteins, peptides, and amine-bearing surfaces, making it a widely used platform for preparing tetrazine-functional conjugates for imaging, labeling, and modular probe construction.
1. Protein Labeling Platforms
Methyltetrazine-PEG8-PFP ester is commonly used to generate tetrazine-functional protein conjugates for research labeling workflows where controlled stoichiometry and aqueous compatibility are important. The PFP ester reacts with accessible primary amines on antibodies, enzymes, and scaffold proteins, allowing researchers to install methyltetrazine handles at defined sites while the PEG8 spacer helps maintain solubility and accessibility of the click-reactive group. These tetrazine-bearing proteins are then paired with complementary strained-alkene reagents to enable rapid post-conjugation assembly of imaging probes, affinity reagents, or multicomponent bioconjugates.
2. Antibody-Conjugated Imaging Reagents
Methyltetrazine-PEG8-PFP ester supports the preparation of antibody conjugates used in molecular imaging and diagnostic reagent development pipelines, particularly where modular click-based assembly is preferred over direct conjugation of bulky reporters. By coupling the PFP ester to lysine residues on antibodies or antibody fragments, the reagent provides a stable, PEG-spaced tetrazine functionality that can be reacted with strained-alkene imaging tags after conjugate formation. This workflow is frequently adopted to streamline the generation of libraries of antibody–probe constructs, including fluorescent, luminescent, or radiolabel-compatible reporter formats, while keeping the tetrazine installation step separated from the final reporter incorporation.
3. Surface and Material Functionalization
Methyltetrazine-PEG8-PFP ester is widely applied to functionalize amine-containing biomaterial surfaces and device coatings with tetrazine click handles for downstream assembly of reactive layers. The PFP ester chemistry enables covalent coupling to amine groups present on many polymeric, hydrogel, and biofunctionalized substrates, while the PEG8 spacer supports uniform presentation of the tetrazine moiety and helps reduce steric hindrance during subsequent click reactions. Researchers use these tetrazine-functional materials to build modular surface architectures, immobilize strained-alkene probes, and create multivalent interfaces for assay development and molecular binding studies.
4. Peptide and Biomolecule Conjugates
Methyltetrazine-PEG8-PFP ester is used to prepare tetrazine-functional peptides and other amine-bearing biomolecules that serve as building blocks in click-based probe construction. The PFP ester enables coupling to lysine-containing peptides, peptide carriers, and amine-rich biomolecular scaffolds, providing a PEG-spaced tetrazine handle that remains accessible for rapid reaction with complementary strained-alkene partners. This approach is particularly valuable when researchers need to generate a set of conjugates with consistent click reactivity while maintaining solubility and minimizing aggregation during labeling, purification, and subsequent assembly steps.
Computed Properties
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 31 |
| Exact Mass | 778.28484901 g/mol |
| Monoisotopic Mass | 778.28484901 g/mol |
| Topological Polar Surface Area | 161Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 933 |
| 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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