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Methyltetrazine-PEG8-DBCO
| Catalog Number | R01-0334 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C44H54N6O10 |
| Molecular Weight | 827.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Methyltetrazine-PEG8-DBCO is a bifunctional reagent that combines a methyltetrazine moiety and a dibenzocyclooctyne (DBCO) group linked through an eight-unit polyethylene glycol (PEG) spacer. This reagent participates in bioorthogonal chemistry, enabling strain-promoted azide-alkyne cycloaddition and inverse electron-demand Diels–Alder reactions, facilitating efficient conjugation without the need for copper catalysts. Its PEG linker enhances solubility and flexibility, making it suitable for applications in biomolecule conjugation, surface modification, and polymer functionalization.
Chemical Information
Product Specification
Computed Properties
Chemical Information
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[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]ethyl]-4-oxobutanamide |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C44H54N6O10/c1-35-46-48-44(49-47-35)38-12-14-40(15-13-38)60-33-32-59-31-30-58-29-28-57-27-26-56-25-24-55-23-22-54-21-20-53-19-18-45-42(51)16-17-43(52)50-34-39-8-3-2-6-36(39)10-11-37-7-4-5-9-41(37)50/h2-9,12-15H,16-34H2,1H3,(H,45,51) |
| InChIKey | UPIVBEJTWNIMKG-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Computed Properties
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 29 |
| Exact Mass | 826.39014194 g/mol |
| Monoisotopic Mass | 826.39014194 g/mol |
| Topological Polar Surface Area | 175Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1240 |
| 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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