
N-(Propargyl-PEG2)-PEG3-t-butyl ester
| Catalog Number | R01-0106 |
| Category | Alkynes |
| Molecular Formula | C20H37NO7 |
| Molecular Weight | 403.5 |
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Product Introduction
N-(Propargyl-PEG2)-PEG3-t-butyl ester is a branched PEG linker with an alkyne group and a t-butyl ester. The alkyne group reacts with azide-bearing compound in coppper catalyzed azide-alkyne Click Chemistry reaction. The amino group is reactive with carboxylic acids, activated NHS esters, and carbonyls.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethoxy]ethoxy]ethoxy]propanoate |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCNCCOCCOCC#C |
| InChI | InChI=1S/C20H37NO7/c1-5-9-23-13-15-25-11-7-21-8-12-26-16-18-27-17-14-24-10-6-19(22)28-20(2,3)4/h1,21H,6-18H2,2-4H3 |
| InChIKey | ZJFHNHCTHVLHTD-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Application
N-(Propargyl-PEG2)-PEG3-t-butyl ester is a PEGylated, alkyne-functional click chemistry reagent designed for copper-free and/or copper-mediated azide–alkyne cycloaddition workflows in chemical biology and materials research. The propargyl terminus provides a reactive handle for conjugation, while the PEG spacer architecture supports solubility, bioreactivity control, and reduced nonspecific interactions in complex experimental settings. The t-butyl ester capping group enables use in labeling and coupling strategies where an ester-protected PEG construct is advantageous for downstream processing and surface or polymer functionalization.
1. Bioorthogonal Surface Labeling
N-(Propargyl-PEG2)-PEG3-t-butyl ester is commonly used to introduce an alkyne handle onto surfaces and interfaces for subsequent azide-based labeling of biomolecules, affinity tags, or cell-interacting ligands. Researchers in biomaterials science and chemical biology often select PEGylated propargyl reagents to improve wetting, minimize aggregation, and maintain accessibility of the reactive group during conjugation to azide-bearing coatings, nanoparticles, or functionalized polymers. The resulting alkyne-functional materials are then compatible with click-based assembly steps used in probe fabrication, assay development, and platform prototyping.
2. Protein and Peptide Conjugation
N-(Propargyl-PEG2)-PEG3-t-butyl ester supports PEG-mediated modification strategies where an alkyne-bearing PEG spacer is introduced prior to azide–alkyne coupling. In protein chemistry workflows, the reagent is used to generate alkyne-functional intermediates that can be further linked to azide-tagged antibodies, affinity reagents, or peptide constructs for multivalent labeling and imaging reagent preparation. The PEG architecture helps maintain solubility and can reduce steric crowding effects, which is particularly useful when building conjugates for microscopy, flow-based detection, or mechanistic studies requiring well-defined labeling density.
3. Polymer and Hydrogel Functionalization
N-(Propargyl-PEG2)-PEG3-t-butyl ester is frequently applied in polymer chemistry and biomaterials engineering to incorporate click-reactive alkyne functionality into PEG-containing networks, hydrogels, and crosslinkable materials. Material scientists use the reagent to prepare azide-reactive building blocks that enable modular assembly with azide-functional crosslinkers, bioactive motifs, or fluorescent reporters. The PEG-rich structure is well suited for aqueous processing and for tuning swelling and interfacial behavior, making it a practical choice for constructing click-assembled materials used in advanced cell culture tools, responsive matrices, and customizable research platforms.
4. Molecular Imaging Probe Assembly
N-(Propargyl-PEG2)-PEG3-t-butyl ester is used as a PEGylated alkyne precursor in the construction of imaging probes and labeling reagents that rely on azide–alkyne click conjugation. Molecular imaging and chemical biology groups often incorporate PEG spacers to improve probe handling in aqueous buffers and to promote more consistent conjugation outcomes when assembling multi-component probe systems. After introducing the propargyl functionality, the reagent enables downstream coupling to azide-bearing fluorophores, affinity handles, or imaging scaffolds, supporting the rapid generation of probe libraries for experimental optimization and target-specific labeling workflows.
Computed Properties
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 403.25700252 g/mol |
| Monoisotopic Mass | 403.25700252 g/mol |
| Topological Polar Surface Area | 84.5Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 415 |
| 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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