
Propargyl-PEG4-S-PEG4-propargyl | CAS 2055041-17-1
| Catalog Number | R01-0098 |
| Category | Alkynes |
| Molecular Formula | C₂₂H₃₈O₈S |
| Molecular Weight | 462.60 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG4-S-PEG4-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-S-PEG4-propargyl can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | 4,7,10,13,19,22,25,28-octaoxa-16-thiahentriaconta-1,30-diyne |
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne |
| SMILES | C#CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C22H38O8S/c1-3-5-23-7-9-25-11-13-27-15-17-29-19-21-31-22-20-30-18-16-28-14-12-26-10-8-24-6-4-2/h1-2H,5-22H2 |
| InChIKey | FWWYVRGWJPDTIG-UHFFFAOYSA-N |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
Propargyl-PEG4-S-PEG4-propargyl is a PEG-based bis-propargyl sulfide click chemistry reagent designed for copper-free or copper-enabled azide–alkyne cycloaddition workflows in chemical biology and materials science. The structure combines two terminal propargyl groups with a flexible PEG4–sulfide–PEG4 architecture, enabling efficient multivalent conjugation and surface or scaffold functionalization. Its PEG spacers are commonly leveraged to improve solubility, reduce nonspecific interactions, and support reproducible labeling of biomolecules, polymers, and nanoparticle platforms.
1. Multivalent Biomolecule Labeling
Propargyl-PEG4-S-PEG4-propargyl is widely used to install two alkyne handles on biomolecular scaffolds that require multivalent click labeling, such as protein conjugates, peptide constructs, and nucleic-acid–associated probes. Researchers use the PEG4–sulfide–PEG4 spacing to maintain accessibility of each alkyne for subsequent azide-bearing partners, supporting more uniform degrees of labeling than monofunctional linkers in many experimental workflows. The reagent’s dual propargyl functionality is particularly valuable when downstream applications call for higher local probe density, improved signal distribution in imaging or binding assays, or controlled crosslinking of biomolecular assemblies into defined architectures.
2. PEG Linker Platform For Probes
Propargyl-PEG4-S-PEG4-propargyl serves as a practical PEG linker building block for constructing modular chemical probes, including fluorescent labeling reagents and affinity-tagged detection tools that incorporate azide-reactive components. The reagent’s flexible PEG spacers help reduce steric hindrance during conjugation to azide-functional dyes, recognition ligands, or polymeric carriers, which is important when assembling complex probe systems for microscopy, flow-based analyses, or reagent development pipelines. Because it presents two terminal alkyne groups, it can be used to generate probe intermediates that support sequential or orthogonal assembly strategies, enabling consistent reagent handling and reproducible probe-to-target coupling in research-grade workflows.
3. Surface And Nanomaterial Functionalization
Propargyl-PEG4-S-PEG4-propargyl is used to functionalize surfaces and nanomaterials where dual click sites improve grafting density and allow multistep attachment of azide-modified coatings. Materials scientists commonly incorporate this reagent into polymer brushes, PEGylated coatings, and hybrid nanoparticle systems to introduce alkyne functionality while maintaining colloidal stability and minimizing nonspecific adsorption. The PEG4 spacers provide a hydrated interface that can be advantageous for maintaining accessibility of reactive sites after immobilization, supporting reproducible coupling of azide-bearing ligands, capture elements, or imaging tags onto solid supports and engineered materials.
4. Hydrogel And Polymer Crosslinking
Propargyl-PEG4-S-PEG4-propargyl is applicable to polymer and hydrogel engineering strategies that rely on click-based network formation or post-functionalization of polymer backbones. In scaffold development workflows, the dual propargyl groups enable incorporation of click-reactive handles into PEG-containing polymer systems, allowing subsequent coupling to azide-functional crosslinkers, bioactive motifs, or degradable linkers as part of material design iterations. The PEG-based architecture helps tune hydration and mechanical microenvironmental properties while providing reactive endpoints for constructing defined, modular polymer networks used in chemical biology tool development and biomaterials research.
Computed Properties
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 26 |
| Exact Mass | 462.22873934 g/mol |
| Monoisotopic Mass | 462.22873934 g/mol |
| Topological Polar Surface Area | 99.1Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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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