
ROX DBCO, 5-isomer
| Catalog Number | R09-0009 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C54H50N4O5 |
| Molecular Weight | 835.00 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
ROX DBCO is a conjugate of bright rhodamine dye rhodamine X, and DBCO (dibenzocyclooctyne)-a reactive group that contains a strained alkyne bond for the conjugation with azides. This reagent is useful for the labeling of various azides with ROX dye.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 5-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]carbamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate |
| SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)NCCCCCC(=O)N9CC1=CC=CC=C1C#CC1=CC=CC=C19)C(=O)[O-])CCC7 |
| InChI | InChI=1S/C54H50N4O5/c59-47(58-33-39-14-4-3-12-34(39)21-22-35-13-5-6-19-46(35)58)20-2-1-7-25-55-53(60)38-23-24-40(43(32-38)54(61)62)48-44-30-36-15-8-26-56-28-10-17-41(49(36)56)51(44)63-52-42-18-11-29-57-27-9-16-37(50(42)57)31-45(48)52/h3-6,12-14,19,23-24,30-32H,1-2,7-11,15-18,20,25-29,33H2,(H-,55,60,61,62) |
| InChIKey | UGNFZBOWTJKONJ-UHFFFAOYSA-N |
| Solubility | good in DMF, DMSO |
| Appearance | red solid |
Product Specification
| ε, L⋅mol-1⋅cm-1 | 93000 |
| Fluorescence Quantum Yield | 1.00 |
| Excitation | 570 |
| Emission | 591 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
Application
ROX DBCO, 5-isomer is a cyclooctyne (DBCO) click-chemistry reagent bearing a ROX fluorophore, designed for copper-free strain-promoted azide-alkyne cycloaddition (SPAAC) labeling workflows. Its ROX emission supports fluorescence-based tracking of biomolecule conjugates, while the DBCO handle enables efficient attachment to azide-functional targets used in chemical biology, imaging, and assay development.
1. Biomolecule Labeling
ROX DBCO, 5-isomer is used to fluorescently tag azide-bearing proteins, peptides, and other biomolecules in bioconjugation workflows. Researchers commonly incorporate it into labeling strategies for binding studies, reagent characterization, and fluorescence readouts where ROX provides robust visible-red channel compatibility. The SPAAC-compatible DBCO group supports straightforward post-functionalization of azide-modified targets, enabling conjugate construction for downstream microscopy, gel-based fluorescence analysis, or plate-based fluorescence assays.
2. Fluorescent Probe Construction
ROX DBCO, 5-isomer serves as a fluorophore-building block for constructing fluorescent probes and imaging reagents that require a ROX reporter and a SPAAC-reactive attachment point. In fluorescent probe development, it is frequently used to assemble modular probe conjugates by coupling the DBCO functionality to azide-functional recognition elements, linkers, or targeting scaffolds. This approach supports rapid iteration of probe format and labeling density for molecular imaging reagent development and fluorescence-based assay optimization.
3. Surface And Material Functionalization
ROX DBCO, 5-isomer is applied to engineer fluorescently labeled biomaterials and surfaces by reacting with azide-functionalized polymers, hydrogels, nanoparticles, or solid supports. Chemical biology and materials science teams use the ROX signal to visualize coating uniformity, monitor surface modification, and track labeled components during material characterization. The DBCO click handle enables labeling under copper-free conditions, which is particularly useful when preparing fluorescent materials intended for sensitive biomolecule-containing systems or fluorescence microscopy workflows.
Computed Properties
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 834.37812071 g/mol |
| Monoisotopic Mass | 834.37812071 g/mol |
| Topological Polar Surface Area | 105Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1960 |
| 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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