
DBCO-C3-PEG4-NH-Boc
| Catalog Number | R01-0348 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₈H₅₁N₃O₁₀ |
| Molecular Weight | 709.83 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-C3-PEG4-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C3-PEG4-NH-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]propyl 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)OCCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C38H51N3O10/c1-38(2,3)51-37(45)40-19-22-47-24-26-49-28-27-48-25-23-46-21-17-36(44)50-20-8-18-39-34(42)15-16-35(43)41-29-32-11-5-4-9-30(32)13-14-31-10-6-7-12-33(31)41/h4-7,9-12H,8,15-29H2,1-3H3,(H,39,42)(H,40,45) |
| InChIKey | UMONQRPDXRZGCO-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
DBCO-C3-PEG4-NH-Boc is a strained cyclooctyne (DBCO) click chemistry reagent bearing a flexible C3 linker, a PEG4 spacer, and a Boc-protected amine handle. As a copper-free strain-promoted azide–alkyne cycloaddition (SPAAC) partner, it is widely used to attach biomolecules, polymers, and surfaces under mild conditions while maintaining compatibility with aqueous buffers. The PEG4 segment improves solubility and spacing control, and the Boc-protected functionality enables downstream deprotection and further conjugation or labeling workflows in chemical biology and materials research.
1. Biomolecule Conjugation
DBCO-C3-PEG4-NH-Boc is used to functionalize azide-bearing biomolecules such as peptides, proteins, oligonucleotides, and glycans in labeling and assay development. The PEG4 spacer helps reduce steric crowding at the conjugation site, which is particularly valuable when attaching bulky targeting ligands or when maintaining accessibility of functional groups for subsequent reactions. Researchers commonly incorporate this reagent into modular bioconjugation pipelines where the Boc-protected amine provides a protected reactive handle that can be unveiled later for orthogonal coupling, affinity tag installation, or secondary derivatization.
2. Surface And Material Functionalization
DBCO-C3-PEG4-NH-Boc supports click-based modification of polymers, hydrogels, and engineered surfaces that present azide groups, enabling the creation of functional coatings and cell-interaction materials. The combination of DBCO reactivity and PEG spacing is frequently leveraged to tune surface density and minimize nonspecific interactions in materials science workflows. After immobilization, the Boc-protected amine can be used to introduce additional functional motifs through deprotection and subsequent coupling chemistry, facilitating the stepwise construction of multi-component material platforms for imaging, biosensing, and research tool development.
3. Molecular Imaging Probes
DBCO-C3-PEG4-NH-Boc is applied in the preparation of azide-functional imaging probes where copper-free conjugation is preferred to maintain probe stability and compatibility with sensitive labeling reagents. The PEG4 linker provides a hydrophilic, flexible environment that can improve probe handling and reduce aggregation during probe assembly and purification. In probe development workflows, the Boc-protected amine handle offers a convenient point for later functionalization, such as introducing additional reactive groups for conjugating to carriers, incorporating charge-balancing moieties, or building multivalent probe architectures.
4. Diagnostic Reagent Development
DBCO-C3-PEG4-NH-Boc is used to assemble azide-containing diagnostic and analytical reagents, including affinity reagents, capture probes, and reagent components for workflow-compatible assays. The SPAAC-compatible DBCO chemistry enables rapid conjugation under conditions that are commonly used in reagent manufacturing and laboratory automation, while the PEG4 spacer supports consistent conjugate performance by improving accessibility and reducing steric effects. The Boc-protected amine functionality is particularly useful in development programs that require staged derivatization, allowing teams to introduce additional handles for immobilization, labeling, or coupling to secondary components after the initial click step.
Computed Properties
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 25 |
| Exact Mass | 709.35744483 g/mol |
| Monoisotopic Mass | 709.35744483 g/mol |
| Topological Polar Surface Area | 151Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1130 |
| 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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