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DBCO-PEG9-DBCO | CAS 2353409-50-2
| Catalog Number | R01-0374 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₅₈H₇₀N₄O₁₃ |
| Molecular Weight | 1031.20 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG9-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-DBCO can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
| Synonyms | N,N'-bis(3-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)-4,7,10,13,16,19,22,25,28-nonaoxahentriacontanediamide |
| Purity | 98% |
| IUPAC Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C58H70N4O13/c63-55(59-25-21-57(65)61-45-51-13-3-1-9-47(51)17-19-49-11-5-7-15-53(49)61)23-27-67-29-31-69-33-35-71-37-39-73-41-43-75-44-42-74-40-38-72-36-34-70-32-30-68-28-24-56(64)60-26-22-58(66)62-46-52-14-4-2-10-48(52)18-20-50-12-6-8-16-54(50)62/h1-16H,21-46H2,(H,59,63)(H,60,64) |
| InChIKey | KEUOUDHOMOVWEC-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
DBCO-PEG9-DBCO is a bifunctional polyethylene glycol (PEG) derivative with dibenzocyclooctyne (DBCO) groups at both ends, making it highly valuable in bioconjugation and biomedical research. Here are some key applications of DBCO-PEG9-DBCO:
Bioconjugation: DBCO-PEG9-DBCO is widely used in click chemistry for precisely linking biomolecules. By reacting with azide-functionalized compounds, it enables the creation of stable covalent bonds, facilitating the conjugation of proteins, peptides, and other biologically relevant molecules. This capability is critical for the development of advanced bioconjugates with applications in therapeutics and diagnostics.
Drug Delivery: In drug delivery systems, DBCO-PEG9-DBCO is utilized to modify and functionalize nanoparticles for targeted delivery. Its PEGylation improves the solubility and stability of drug carriers, while the DBCO groups ensure efficient coupling with targeting ligands or therapeutic agents. This results in enhanced targeting specificity and reduced immunogenicity of the delivery system.
Surface Functionalization: DBCO-PEG9-DBCO is employed to functionalize surfaces and create bioactive interfaces. By attaching to azide-modified surfaces, it produces PEGylated surfaces with DBCO functionality, which are then useful for further bioconjugation steps. This technique is valuable in developing biosensors, cell culture substrates, and other biomaterial surfaces.
Protein Crosslinking: DBCO-PEG9-DBCO can be used to form reversible crosslinks between proteins, aiding in structural and functional studies. The PEG spacer provides flexibility to maintain protein activity while forming stable bonds through DBCO-azide click reactions. This application is essential in creating protein complexes for studying interactions and mechanisms in proteomics research.
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1030.49393830 g/mol |
| Monoisotopic Mass | 1030.49393830 g/mol |
| Topological Polar Surface Area | 182Ų |
| Heavy Atom Count | 75 |
| Formal Charge | 0 |
| Complexity | 1670 |
| 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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