
DBCO-NHCO-PEG13-acid
| Catalog Number | R01-0410 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₄₈H₇₂N₂O₁₇ |
| Molecular Weight | 949.09 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-NHCO-PEG13-acid is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-NHCO-PEG13-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | DBCO-NH-PEG12-acid; DBCO-NH-PEG12-CH2CH2COOH |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C48H72N2O17/c51-46(49-14-11-47(52)50-41-44-7-2-1-5-42(44)9-10-43-6-3-4-8-45(43)50)12-15-55-17-19-57-21-23-59-25-27-61-29-31-63-33-35-65-37-39-67-40-38-66-36-34-64-32-30-62-28-26-60-24-22-58-20-18-56-16-13-48(53)54/h1-8H,11-41H2,(H,49,51)(H,53,54) |
| InChIKey | XFJHXMXTEHCPAB-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
DBCO-NHCO-PEG13-acid is a difunctionalized cyclooctyne (DBCO) click-chemistry reagent bearing a PEG13 spacer and a terminal carboxylic acid. As a strain-promoted azide–alkyne cycloaddition (SPAAC) partner, it is widely used to install DBCO handles on biomolecules, polymers, and surfaces without requiring copper catalysis. The extended PEG chain improves aqueous compatibility and helps reduce steric congestion during bioconjugation, while the acid functionality enables downstream coupling to amine-bearing targets or incorporation into materials workflows that rely on carboxyl groups.
1. Surface And Material Functionalization
DBCO-NHCO-PEG13-acid is commonly used to introduce SPAAC-reactive DBCO groups onto polymeric and inorganic surfaces for fabrication of functional coatings, assay formats, and membrane-based platforms. The PEG13 spacer helps maintain accessibility of the cyclooctyne moiety, which is particularly valuable when immobilizing probes on high-density or crowded material surfaces. The terminal carboxylic acid supports integration into surface coupling strategies and polymer architectures where carboxyl groups serve as anchoring or linker points for subsequent assembly with azide-bearing components.
2. Targeted Probe And Imaging Conjugates
DBCO-NHCO-PEG13-acid is frequently selected for building research probes that require site-specific attachment of azide-tagged ligands, reporters, or nanoparticles via copper-free click chemistry. The reagent’s DBCO handle enables rapid conjugation under mild conditions, making it suitable for workflows that preserve sensitive biomolecules and maintain probe solubility. The PEG13 segment also supports improved dispersion and reduced non-specific interactions in complex assay buffers, which is advantageous when preparing imaging reagents, fluorescent conjugates, and multiplexed labeling constructs.
3. PEGylated Bioconjugation Linkers
DBCO-NHCO-PEG13-acid is used as a long, flexible PEGylated linker to modulate the physicochemical properties of bioconjugates, including hydrophilicity and steric presentation of reactive sites. Researchers incorporate this reagent to create azide-reactive labeling reagents where the DBCO moiety must remain accessible after conjugation to proteins, peptides, or other macromolecular carriers. The carboxylic acid functionality provides a convenient handle for integrating the PEG spacer into larger conjugate designs that require defined linker length and improved conjugate stability in aqueous environments.
4. Diagnostic Reagent And Assay Assembly
DBCO-NHCO-PEG13-acid supports the modular construction of diagnostic and analytical assay reagents by enabling SPAAC-based assembly of azide-functional components into defined detection formats. The reagent is well suited for preparing multicomponent systems such as labeled binding reagents, bead-based or plate-based reagent mixes, and standardized probe libraries where DBCO–azide coupling offers straightforward compatibility across different biomolecular chemistries. The PEG13 spacer contributes to consistent reactivity and improved handling in buffer systems, helping maintain performance-relevant reagent behavior during assay preparation and storage.
Computed Properties
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 45 |
| Exact Mass | 948.48309883 g/mol |
| Monoisotopic Mass | 948.48309883 g/mol |
| Topological Polar Surface Area | 207Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1300 |
| 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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