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Methyltetrazine-PEG24-t-butyl ester
| Catalog Number | R08-0021 |
| Category | Tetrazines |
| Molecular Formula | C64H116N4O27 |
| Molecular Weight | 1373.6 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG24-t-butyl ester is an aqueous soluble PEG reagent. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene). The t-butyl protected carboxyl group can be deprotected under acidic conditions.
Chemical Information
Product Specification
Application
Computed Properties
| Synonyms | Methyltetrazine-PEG24-Boc |
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[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]ethoxy]propanoate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C |
| InChI | InChI=1S/C64H116N4O27/c1-59-65-67-63(68-66-59)60-5-7-61(8-6-60)94-58-57-93-56-55-92-54-53-91-52-51-90-50-49-89-48-47-88-46-45-87-44-43-86-42-41-85-40-39-84-38-37-83-36-35-82-34-33-81-32-31-80-30-29-79-28-27-78-26-25-77-24-23-76-22-21-75-20-19-74-18-17-73-16-15-72-14-13-71-12-11-70-10-9-62(69)95-64(2,3)4/h5-8H,9-58H2,1-4H3 |
| InChIKey | XZVVQWAMFYOQGO-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
Methyltetrazine-PEG24-t-butyl ester is a bioconjugation reagent with a wide range of applications, particularly in chemical biology and therapeutic development. Here are some key applications of Methyltetrazine-PEG24-t-butyl ester:
Bioorthogonal Chemistry: Methyltetrazine-PEG24-t-butyl ester is utilized in bioorthogonal click chemistry reactions, which allow the selective labeling of biomolecules in complex environments without interfering with natural biochemical processes. This reagent reacts with trans-cyclooctene or other strained alkenes in a rapid and specific manner. Researchers use this technique for live-cell imaging, protein modification, and tracking biomolecular interactions in real-time.
Drug Delivery Systems: Methyltetrazine-PEG24-t-butyl ester can be employed in the development of targeted drug delivery systems. It facilitates the attachment of therapeutic agents to targeting moieties, such as antibodies or peptides, through click chemistry. This targeted approach enhances the selectivity and efficacy of drug delivery, minimizing off-target effects and improving therapeutic outcomes.
Polymer and Nanoparticle Functionalization: This reagent is used to modify the surface of polymers and nanoparticles to impart specific functionalities. By conjugating Methyltetrazine-PEG24-t-butyl ester to these materials, scientists can introduce reactive sites for subsequent bioorthogonal conjugation. This allows for the development of advanced materials for diagnostics, imaging, and therapeutic applications.
Protein and Peptide Conjugation: Methyltetrazine-PEG24-t-butyl ester is instrumental in protein and peptide conjugation studies. It enables the attachment of various probes, labels, or other biomolecules to proteins or peptides via click chemistry. This application is essential for creating bioconjugates used in proteomics, biomarker detection, and therapeutic protein engineering.
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 31 |
| Rotatable Bond Count | 79 |
| Exact Mass | 1372.78269444 g/mol |
| Monoisotopic Mass | 1372.78269444 g/mol |
| Topological Polar Surface Area | 309Ų |
| Heavy Atom Count | 95 |
| Formal Charge | 0 |
| Complexity | 1520 |
| 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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