
DOTA-PEG5-azide
| Catalog Number | R14-0147 |
| Category | Azides |
| Molecular Formula | C28H52N8O12 |
| Molecular Weight | 692.76 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0147 | 10 mg | $399 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DOTA-PEG5-azide is a polyethylene glycol (PEG)-based PROTAC linker. DOTA-PEG5-azide can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | DOTA-PEG5-C2-azide |
| Purity | 95% |
| IUPAC Name | 2-[4-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-])CC(=O)O)CC(=O)O)CC(=O)O |
| InChI | InChI=1S/C28H52N8O12/c29-32-31-2-12-45-14-16-47-18-20-48-19-17-46-15-13-44-11-1-30-25(37)21-33-3-5-34(22-26(38)39)7-9-36(24-28(42)43)10-8-35(6-4-33)23-27(40)41/h1-24H2,(H,30,37)(H,38,39)(H,40,41)(H,42,43) |
| InChIKey | HCVDFVATJBFZPK-UHFFFAOYSA-N |
| Appearance | White to Off-white Solid |
Product Specification
| Storage | Store at -20 °C |
Application
DOTA-PEG5-azide is a DOTA-based chelator functionalized with a terminal azide through a PEG5 linker, enabling copper-free or copper-mediated azide–alkyne click conjugation to a wide range of targeting ligands, biomolecules, and imaging handles. As a click-ready radiolabeling scaffold, it is commonly used to prepare stable metal complexes for molecular imaging and analytical tracking workflows, while the PEG spacer supports solubility and reduces steric constraints during conjugation. Its azide functionality makes it compatible with established bioconjugation strategies used in chemical biology, biomaterials, and research imaging reagent development.
1. Radiolabeling Imaging Probes
DOTA-PEG5-azide is widely used as a click-compatible chelator for assembling radiolabeled molecular imaging probes, where the DOTA macrocycle provides a robust coordination site for radiometals and the azide handle enables modular attachment to targeting vectors. Research groups and imaging reagent developers use it to generate conjugates with peptides, antibodies, affibodies, and small-molecule ligands by coupling the azide to complementary alkyne-functional partners. The PEG5 spacer helps maintain aqueous compatibility and supports efficient conjugation in labeling workflows that require reproducible probe construction for in vitro and ex vivo studies. This architecture is particularly valuable when a chelator must be introduced early and then diversified through click conjugation to create probe sets for comparative imaging studies.
2. Targeting Ligand Conjugation
DOTA-PEG5-azide serves as a versatile intermediate for building targeting conjugates in chemical biology, enabling researchers to attach the DOTA chelator to biomolecular recognition elements using click chemistry. The terminal azide allows straightforward incorporation into workflows where alkyne-bearing ligands, linkers, or scaffold components are available, supporting rapid generation of structure–property variants. In practice, it is used to prepare chelator-bearing conjugates for downstream radiometal complexation, as well as for non-radioactive metal coordination controls used in method development. The PEG5 linker contributes to improved handling and reduced aggregation tendencies during conjugation and subsequent labeling steps, which is beneficial for preparing consistent reagent batches for imaging and tracking experiments.
3. Surface and Hydrogel Functionalization
DOTA-PEG5-azide is used to functionalize surfaces and soft materials that require chelator incorporation for subsequent metal loading and imaging reagent assembly. Materials scientists apply it to create azide-presenting coatings, polymer films, or hydrogel networks that can be modified via click coupling with alkyne-functional crosslinkers, spacers, or biomolecule anchors. After immobilization, the DOTA moiety provides a defined coordination environment for radiometal complexation or metal-ion binding studies, supporting spatially resolved labeling strategies. This approach is commonly adopted in platform development where immobilized chelators are needed to generate stable, reusable imaging materials or to support quantitative imaging readouts from defined material architectures.
4. Molecular Imaging Method Development
DOTA-PEG5-azide is a practical reagent for method development in molecular imaging chemistry, especially when researchers need a modular chelator platform that can be rapidly reconfigured through click conjugation. Imaging chemistry teams use it to prepare libraries of chelator-bearing conjugates that differ in targeting moieties, linker lengths, or multivalency, while keeping the metal-coordination motif constant. The azide handle supports integration with common alkyne-bearing tags used for probe assembly and analytical characterization, facilitating iterative optimization of conjugation schemes and labeling conditions. By pairing a DOTA chelator with a PEG5 spacer, DOTA-PEG5-azide helps streamline workflows that require consistent reagent performance across multiple probe designs used for imaging reagent development and comparative studies.
Computed Properties
| XLogP3 | -8.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 26 |
| Exact Mass | 692.37046912 g/mol |
| Monoisotopic Mass | 692.37046912 g/mol |
| Topological Polar Surface Area | 215Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 928 |
| 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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