Methyltetrazine-PEG24-t-butyl ester

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Methyltetrazine-PEG24-t-butyl ester

Methyltetrazine-PEG24-t-butyl ester

Catalog Number R08-0021
Category Tetrazines
Molecular Formula C64H116N4O27
Molecular Weight 1373.6
Catalog Number Size Price Quantity
R08-0021 -- $--

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

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
InChI Key XZVVQWAMFYOQGO-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
  • Application
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.

Computed Properties

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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