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DBCO-N-bis(PEG4-acid)
| Catalog Number | R01-0078 |
| Category | Alkynes |
| Molecular Formula | C41H56N2O14 |
| Molecular Weight | 800.9 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-N-bis(PEG4-acid) is a branched click chemistry reagent. The DBCO group enables copper-free Click Chemistry reactions. carboxylic acid groups allows for reactions with primary amine groups using activators such as EDC or HATU to form a stable amide bond.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C41H56N2O14/c44-38(11-12-39(45)43-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)43)42(15-19-52-23-27-56-31-29-54-25-21-50-17-13-40(46)47)16-20-53-24-28-57-32-30-55-26-22-51-18-14-41(48)49/h1-8H,11-33H2,(H,46,47)(H,48,49) |
| InChIKey | NKDFKIRFDIPDQC-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | -20 °C |
Application
DBC0-N-bis(PEG4-acid) is a difunctional DBCO-based click chemistry reagent designed for strain-promoted azide–alkyne cycloaddition (SPAAC) conjugation without copper. The scaffold combines a cyclooctyne (DBCO) handle with two PEG4-acid arms, providing aqueous compatibility and carboxylate functionality for downstream coupling and surface immobilization. This reagent is commonly selected for building modular PEGylated conjugates, preparing functional biomaterials, and generating imaging or assay-ready probes where robust SPAAC attachment is required.
1. PEGylated Bioconjugation
DBC0-N-bis(PEG4-acid) is widely used to introduce PEG spacers into biomolecular conjugates via SPAAC, improving solubility and reducing nonspecific interactions in labeling workflows. Researchers employ it to connect azide-bearing targets such as biomolecules, peptides, or polymeric carriers to DBCO-functionalized platforms while retaining carboxylate groups for further derivatization or affinity handle installation. The PEG4-acid architecture supports multistep assembly in chemical biology and reagent development pipelines, where stable linkages and water-friendly behavior are critical for consistent probe performance across assays and imaging experiments.
2. Surface Immobilization Chemistry
DBC0-N-bis(PEG4-acid) supports immobilization strategies for creating functional surfaces and assay formats by leveraging its carboxylate functionality alongside SPAAC-compatible DBCO chemistry. It is frequently used to anchor azide-functional materials onto DBCO-coated substrates, enabling the fabrication of clickable biointerfaces for biosensing, binding assays, and workflow-specific reagent immobilization. The PEG4 arms help mitigate steric crowding at the interface, which is valuable when immobilizing ligands or capture elements on chips, beads, or membranes for reproducible surface presentation.
3. Molecular Imaging Probe Assembly
DBC0-N-bis(PEG4-acid) is used in the construction of SPAAC-based molecular imaging and detection probes where modular conjugation and aqueous handling are required. Probe developers often incorporate this reagent as a PEGylated DBCO linker to attach azide-tagged reporter components, such as fluorescent dyes, affinity tags, or imaging moieties, while maintaining chemical flexibility for subsequent functionalization through the acid groups. The reagent’s dual PEG4-acid design is particularly useful in multicomponent labeling schemes that benefit from spacing control and improved colloidal stability during probe formulation and storage.
4. Biomaterials and Hydrogel Functionalization
DBC0-N-bis(PEG4-acid) is commonly applied to functionalize biomaterials, including polymer networks and hydrogel systems, through SPAAC coupling to azide-bearing components. Materials scientists use it to install clickable PEGylated linkers that tune local hydrophilicity and spacing, supporting more uniform presentation of bioactive or interactive motifs within soft matter. The included carboxylate handles enable additional coupling steps for crosslinking, ligand attachment, or incorporation of secondary functionalities, making it a practical reagent for building next-generation clickable scaffolds used in chemical biology tool development and advanced materials research.
Computed Properties
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 33 |
| Exact Mass | 800.37315446 g/mol |
| Monoisotopic Mass | 800.37315446 g/mol |
| Topological Polar Surface Area | 189Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1170 |
| 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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