
Active-Mono-Sulfone-PEG9-DBCO
| Catalog Number | R01-0327 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C57H71N3O15S |
| Molecular Weight | 1070.3 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Active-Mono-Sulfone-PEG9-DBCO is a PEG linker with a sulfone and a DBCO group. The sulfone group can be conjugated with thiol groups of proteins. The DBCO can undergo copper-free Click Chemistry reactions with azides. The hydrophilic PEG9 chain increases the water solubility of the compound in aqueous media.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[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]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyl]benzamide |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C2=CC=C(C=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C57H71N3O15S/c1-45-11-19-52(20-12-45)76(65,66)44-46(2)56(63)49-15-17-50(18-16-49)57(64)59-24-26-68-28-30-70-32-34-72-36-38-74-40-42-75-41-39-73-37-35-71-33-31-69-29-27-67-25-23-58-54(61)21-22-55(62)60-43-51-9-4-3-7-47(51)13-14-48-8-5-6-10-53(48)60/h3-12,15-20H,2,21-44H2,1H3,(H,58,61)(H,59,64) |
| InChIKey | CQLPCCISADRCHR-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
Active-Mono-Sulfone-PEG9-DBCO is a PEGylated, strained-alkyne click chemistry reagent built around a DBCO (dibenzocyclooctyne) cyclooctyne handle for copper-free strain-promoted azide–alkyne cycloaddition (SPAAC). The mono-sulfone activation motif and extended PEG9 spacer are designed to support stable conjugation workflows and improve solubility and accessibility of the reactive alkyne in aqueous bioconjugation settings. Active-Mono-Sulfone-PEG9-DBCO is commonly selected for modular labeling strategies where a DBCO-functional group is installed onto biomolecules, polymers, or surfaces prior to SPAAC coupling with azide-bearing partners.
1. Protein And Peptide Labeling
Active-Mono-Sulfone-PEG9-DBCO is used to prepare DBCO-functional protein and peptide conjugates for downstream azide-reactive labeling workflows in chemical biology and biomaterials research. The PEG9 spacer helps maintain aqueous compatibility and can reduce steric hindrance during subsequent SPAAC coupling, which is valuable when attaching fluorophores, affinity tags, or imaging handles to proteins without relying on copper catalysts. Researchers often employ this reagent as a practical building block to generate well-defined, SPAAC-ready bioconjugates for assay development and mechanistic studies.
2. Antibody Conjugation Platforms
Active-Mono-Sulfone-PEG9-DBCO supports antibody and antibody-fragment conjugation pipelines where a DBCO handle is required for site- or batch-selective coupling to azide-functional reporters. In typical workflows, the PEG spacer improves conjugate solubility and can help preserve binding-relevant properties by spacing the reactive moiety away from the protein surface. This reagent is therefore frequently used in research-grade diagnostic reagent development and molecular imaging probe construction, enabling robust, copper-free linkage to azide-bearing imaging agents or detection reagents.
3. Surface and Material Functionalization
Active-Mono-Sulfone-PEG9-DBCO is applied to functionalize polymeric materials, hydrogel matrices, and solid supports that will later be coupled to azide-containing ligands or nanoparticles via SPAAC. The PEG9 chain contributes to better wetting and reduced nonspecific interactions when immobilizing reactive groups on surfaces, which is particularly useful for creating biointerfaces for biosensing and cell-interaction studies. This reagent is also used in materials science to generate DBCO-presenting coatings that can be rapidly “clicked” with azide-functional biomolecules to produce modular, customizable platforms.
4. Fluorophore And Imaging Probe Assembly
Active-Mono-Sulfone-PEG9-DBCO is commonly used as a DBCO-armed intermediate for assembling fluorescence and molecular imaging probes through copper-free SPAAC with azide-tagged reporting groups. The combination of the sulfone activation motif and the PEG9 spacer supports conjugation strategies that aim to keep the imaging label accessible and minimize aggregation in aqueous labeling conditions. Probe developers leverage Active-Mono-Sulfone-PEG9-DBCO to create chemically stable, SPAAC-compatible imaging constructs for research applications such as target visualization and multi-component labeling schemes.
Computed Properties
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 39 |
| Exact Mass | 1069.46058974 g/mol |
| Monoisotopic Mass | 1069.46058974 g/mol |
| Topological Polar Surface Area | 221Ų |
| Heavy Atom Count | 76 |
| Formal Charge | 0 |
| Complexity | 1870 |
| 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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