
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) | CAS 2112732-01-9
| Catalog Number | R01-0085 |
| Category | Alkynes |
| Molecular Formula | C₂₄H₄₁NO₁₁ |
| Molecular Weight | 519.58 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | N-(PROPARGYL-PEG4-CARBONYL)-N-BIS(PEG1-METHYLESTER); 4,11,14,17,20-Pentaoxa-7-azatricos-22-ynoic acid, 7-[2-(3-methoxy-3-oxopropoxy)ethyl]-8-oxo-, methyl ester; methyl 17-(2-(3-methoxy-3-oxopropoxy)ethyl)-16-oxo-4,7,10,13,20-pentaoxa-17-azatricos-1-yn-23-oate; methyl 3-(2-{N-[2-(3-methoxy-3-oxopropoxy)ethyl]-4,7,10,13-tetraoxahexadec-15-ynamido}ethoxy)propanoate |
| Purity | 98% |
| IUPAC Name | methyl 3-[2-[2-(3-methoxy-3-oxopropoxy)ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]propanoate |
| SMILES | COC(=O)CCOCCN(CCOCCC(=O)OC)C(=O)CCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C24H41NO11/c1-4-10-31-16-18-35-20-21-36-19-17-34-11-5-22(26)25(8-14-32-12-6-23(27)29-2)9-15-33-13-7-24(28)30-3/h1H,5-21H2,2-3H3 |
| InChIKey | JCIALVYXFZVDJH-UHFFFAOYSA-N |
Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Application
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is a PEG-based bifunctional click chemistry reagent featuring a terminal alkyne handle for Cu(I)-catalyzed azide–alkyne cycloaddition (CuAAC) and activated PEG ester groups that enable efficient incorporation into PEGylated constructs. Its amphiphilic, water-compatible architecture makes it well suited for building soluble bioconjugates, surface-tethered polymers, and imaging or assay-ready macromolecular scaffolds. Researchers commonly select this type of alkyne-bearing PEG reagent when they need controlled attachment of PEG units to biomolecules, materials, or probe platforms while maintaining colloidal stability.
1. PEGylated Bioconjugate Building
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is widely used to generate PEGylated bioconjugates for chemical biology workflows where solubility, reduced non-specific interactions, and controlled scaffold architecture are priorities. The reagent’s PEG-rich composition supports conjugate formats such as alkyne-functional linkers that can be coupled to azide-bearing targeting ligands, affinity tags, or biomolecular partners via CuAAC. In practice, it is often selected for preparing soluble conjugates used in binding studies, reagent development for protein labeling, and preparation of standardized probe libraries that benefit from consistent PEG spacing and hydration layers.
2. Surface Functionalization And Coatings
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is commonly applied in materials chemistry to introduce PEG-mediated antifouling and hydration layers onto surfaces that will later be functionalized with azide-bearing biomolecules or capture elements. The terminal alkyne functionality enables post-tethering via click coupling to azide-functional coatings, while the PEG ester components help generate stable, polymeric interfaces that are compatible with aqueous processing. This makes the reagent relevant to the fabrication of assay substrates, biosensor surfaces, and research-grade coated materials where reproducible surface chemistry and minimized background binding are essential.
3. Molecular Imaging And Probe Platforms
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is used as a PEG linker component in the construction of molecular imaging and detection probe platforms that require improved probe stability and favorable solution behavior. The alkyne handle supports modular assembly of probes by click conjugation to azide-containing reporter components, targeting motifs, or imaging-reactive moieties. PEG incorporation is particularly valued when probe formulations must remain well-dispersed and resistant to aggregation during labeling, purification, and downstream analytical workflows such as fluorescence-based assays or other imaging readouts used in chemical biology research.
4. Diagnostic Reagent And Assay Reagents
N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) serves as a practical PEG-based building block for diagnostic reagent development and assay reagent customization, where consistent conjugate architecture improves assay robustness. The reagent can be used to prepare click-reactive PEG scaffolds that are subsequently coupled to azide-functional assay components, including affinity reagents, detection handles, or immobilizable tags. Its PEG-rich design supports aqueous assay conditions and helps reduce non-specific adsorption, which is advantageous for constructing standardized reagent sets used in research assays and analytical testing workflows.
Computed Properties
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 27 |
| Exact Mass | 519.26796112 g/mol |
| Monoisotopic Mass | 519.26796112 g/mol |
| Topological Polar Surface Area | 128Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 594 |
| 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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