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DBCO-PEG3-amine
| Catalog Number | R01-0289 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C27H33N3O5 |
| Molecular Weight | 479.57 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG3-amine is a reagent that features a dibenzocyclooctyne (DBCO) moiety, which participates in strain-promoted azide-alkyne cycloaddition (SPAAC) reactions, enabling copper-free click chemistry applications. The compound incorporates a polyethylene glycol (PEG) spacer with three ethylene glycol units, enhancing solubility and reducing steric hindrance during bioconjugation processes. Its terminal amine group allows for further functionalization or conjugation to biomolecules, supporting applications in surface modification, polymer functionalization, and linker design.
Chemical Information
Product Specification
Computed Properties
Patents
Chemical Information
| Synonyms | DBCO-C4-PEG3-amine |
| Purity | >90% |
| IUPAC Name | N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCN |
| InChI | InChI=1S/C27H33N3O5/c28-13-15-33-17-19-35-20-18-34-16-14-29-26(31)11-12-27(32)30-21-24-7-2-1-5-22(24)9-10-23-6-3-4-8-25(23)30/h1-8H,11-21,28H2,(H,29,31) |
| InChIKey | ZDMKBOWJBWTBIN-UHFFFAOYSA-N |
| Solubility | DCM, THF, acetonitrile, DMF and DMSO |
| Appearance | Light yellow oil |
Product Specification
| Storage | -20 °C |
Computed Properties
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 479.24202116 g/mol |
| Monoisotopic Mass | 479.24202116 g/mol |
| Topological Polar Surface Area | 103Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 718 |
| 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 |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021386866-A1 | Antibody-drug conjugates containing an anti-mesothelin antibody and uses thereof | 2020-06-05 |
| US-2021308276-A1 | Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates | 2016-08-03 |
| US-2020069717-A1 | Nucleotide derivatives and methods of use thereof | 2016-05-23 |
| WO-2017205336-A1 | Nucleotide derivatives and methods of use thereof | 2016-05-23 |
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