
TCO-PEG4-DBCO | CAS 1801863-88-6
| Catalog Number | R15-0016 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C38H49N3O8 |
| Molecular Weight | 675.81 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG4-DBCO is a dual-functional ADC linker combining trans-cyclooctene and DBCO groups for click chemistry and bioorthogonal reactions. Used in pretargeting strategies, it supports rapid, selective antibody-payload assembly in drug conjugate synthesis.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | (4E)-Tco-peg4-dbco |
| Purity | >98.0% |
| Shelf Life | ≥ 2 years |
| IUPAC Name | |
| SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C38H49N3O8/c42-36(39-20-18-37(43)41-30-33-12-7-6-10-31(33)16-17-32-11-8-9-15-35(32)41)19-22-45-24-26-47-28-29-48-27-25-46-23-21-40-38(44)49-34-13-4-2-1-3-5-14-34/h1-2,6-12,15,34H,3-5,13-14,18-30H2,(H,39,42)(H,40,44) |
| InChIKey | MXNJAXPSMJDOOY-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
Product Specification
| Storage | Store at -5°C,keep in dry and avoid sunlight. |
Application
TCO-PEG4-DBCO is a bifunctional, PEG-linked click chemistry reagent that combines a strained trans-cyclooctene (TCO) handle with a cyclooctyne (DBCO) moiety for orthogonal bioorthogonal conjugation workflows. The PEG4 spacer improves aqueous handling and helps reduce steric effects during labeling, making this reagent attractive for constructing modular molecular probes, multivalent conjugates, and sequential conjugation strategies. Because it carries two complementary click-reactive groups, TCO-PEG4-DBCO is commonly used in research settings that require controlled assembly of complex biomolecular and materials-based systems.
1. Sequential Biomolecule Labeling
TCO-PEG4-DBCO is used to enable stepwise installation of two different click handles onto biomolecules, such as proteins, antibodies, peptides, or nucleic-acid-binding reagents, without requiring harsh conditions or extensive optimization for each labeling step. The PEG4 linker supports reliable conjugation in aqueous buffers and helps maintain accessibility of reactive groups when building multi-component constructs. Researchers often employ this reagent to create intermediate conjugates that can later be functionalized with complementary partners, supporting workflows where labeling order matters for probe performance, purification strategy, or downstream imaging reagent assembly.
2. Multivalent Probe Construction
TCO-PEG4-DBCO is well suited for generating multivalent imaging and detection probes by providing a single scaffold that can participate in orthogonal click reactions with different target-reactive partners. The dual-reactive nature allows probe designers to incorporate multiple ligands, reporters, or affinity elements within one architecture, while the PEG4 spacing can help mitigate steric crowding that otherwise limits effective binding of bulky tags. This application is frequently adopted in chemical biology and molecular imaging tool development, where robust probe assembly and modular interchange of targeting or reporting components are essential.
3. Surface and Materials Functionalization
TCO-PEG4-DBCO is applied in biomaterials and surface chemistry workflows to introduce clickable functionality onto polymer surfaces, hydrogel networks, or nanoparticle platforms that can be further modified with DBCO- or TCO-reactive counterparts. The PEG spacer supports conjugation in water-compatible processing conditions and can improve the uniformity of functional group presentation on material interfaces. In industrial and translational research environments focused on diagnostic reagent development and advanced materials, this reagent is used to build clickable material building blocks that can be rapidly patterned or decorated with capture ligands, reporters, or assay components.
4. Modular Diagnostic Reagent Assembly
TCO-PEG4-DBCO is used as a versatile intermediate for assembling diagnostic and analytical reagent components that require flexible coupling of multiple assay elements, including affinity binders, signal reporters, and scaffold molecules. Its dual click-reactive design supports iterative build-and-exchange strategies, allowing reagent developers to prepare standardized conjugation intermediates and then attach assay-specific components under consistent conditions. The PEG4 linkage helps maintain reactive-group accessibility during conjugation and purification, which is particularly valuable when preparing complex reagent mixtures for high-throughput assay development and platform prototyping.
Computed Properties
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 20 |
| Exact Mass | 675.35196553 g/mol |
| Monoisotopic Mass | 675.35196553 g/mol |
| Topological Polar Surface Area | 125Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1090 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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