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N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)
| Catalog Number | R01-0069 |
| Category | Alkynes |
| Molecular Formula | C112H185N11O40 |
| Molecular Weight | 2325.8 |
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Product Introduction
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) is a multifunctional reagent that features a BCN moiety for strain-promoted azide-alkyne cycloaddition, facilitating bioorthogonal conjugation processes. The presence of PEG linkers in its structure enhances solubility and flexibility, making it suitable for polymer functionalization and surface modification. This compound serves as a versatile tool in labeling chemistry and bioconjugation, supporting the assembly of complex macromolecular architectures through its multiple reactive sites.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| IUPAC Name | [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[3-[2-[2-[2-[2-[bis[2-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate |
| SMILES | C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)NC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)COCCC(=O)NCCOCCOCC#C)CCOCCOCCOCCNC(=O)CCOCCOCCNC(=O)OCC1C2C1CCC#CCC2 |
| InChI | InChI=1S/C112H185N11O40/c1-7-39-134-65-74-143-54-29-114-102(125)20-48-157-92-111(93-158-49-21-103(126)115-30-55-144-75-66-135-40-8-2,94-159-50-22-104(127)116-31-56-145-76-67-136-41-9-3)121-108(131)26-46-141-72-85-154-88-82-151-62-36-123(38-64-153-84-90-156-87-81-149-60-28-113-101(124)19-45-140-71-80-150-61-35-120-110(133)163-91-100-98-17-15-13-14-16-18-99(98)100)37-63-152-83-89-155-86-73-142-47-27-109(132)122-112(95-160-51-23-105(128)117-32-57-146-77-68-137-42-10-4,96-161-52-24-106(129)118-33-58-147-78-69-138-43-11-5)97-162-53-25-107(130)119-34-59-148-79-70-139-44-12-6/h1-6,98-100H,15-97H2,(H,113,124)(H,114,125)(H,115,126)(H,116,127)(H,117,128)(H,118,129)(H,119,130)(H,120,133)(H,121,131)(H,122,132)/t98-,99+,100? |
| InChIKey | SVXUYMHTZLRTMU-RMEDYJPJSA-N |
Product Specification
| Storage | -20 °C |
Application
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) is a multi-arm, PEGylated click chemistry reagent that combines an endo-bicyclononyne (endo-BCN) handle with multiple propargyl (alkyne) termini for orthogonal bioorthogonal conjugation. As an endo-BCN/alkyne click platform, it is structurally designed for efficient crosslinking and modular labeling in aqueous, biomolecule-compatible workflows. Its dense PEG architecture supports solubility and reduces nonspecific interactions, making it well suited for building multivalent chemical probes, surface coatings, and imaging or diagnostic reagent components where controlled stoichiometry and spatial presentation matter.
1. Multivalent Probe Conjugation
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) is used to create high-avidity labeling reagents for chemical biology studies that require multivalent display of reactive handles on proteins, peptides, or polymeric carriers. The reagent’s PEG-rich, branched architecture helps maintain colloidal stability during conjugation and downstream handling, while the endo-BCN and multiple alkyne functionalities enable sequential or orthogonal attachment strategies to assemble complex probe formats. Researchers commonly employ it to generate multivalent chemical tools for receptor-binding studies, affinity capture workflows, and comparative labeling experiments where the density of functional groups influences signal readout and binding avidity.
2. Surface Patterning And Crosslinking
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) supports fabrication of functionalized biomaterial surfaces and hydrogel networks by providing multiple clickable termini for surface immobilization and network formation. Materials scientists use the reagent to tune crosslink density and spatial organization when attaching to azide-free or BCN-compatible substrates, enabling robust integration of PEGylated linkers that can improve hydration and reduce nonspecific adsorption. This makes the reagent relevant for preparing patterned interfaces for biosensing surfaces, cell-interaction matrices, and reusable affinity materials where stable, well-defined functional group presentation is required.
3. Molecular Imaging Reagent Building
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) is applied in the construction of imaging-oriented chemical probes that benefit from multivalent conjugation and flexible PEG spacing. Probe developers use the reagent as a modular scaffold to connect imaging reporters or targeting ligands through click-compatible handles, producing conjugates with improved solubility and reduced aggregation relative to less PEGylated linkers. The ability to incorporate multiple alkyne sites alongside an endo-BCN moiety supports design of probe families with controlled labeling density, which is valuable when optimizing contrast-relevant properties such as probe distribution and stability in complex assay buffers.
4. Diagnostic Reagent And Assay Platforms
N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane) is used to assemble diagnostic reagent components and assay-ready conjugates where consistent, reproducible functionalization is important. In laboratory and industrial R&D settings, the reagent serves as a PEGylated crosslinking and coupling intermediate to integrate capture molecules, signal-generating chemistries, or assay-compatible polymers into a single multivalent construct. Its branched, multi-handle design supports scalable workflows for generating standardized reagent batches for platform development, including conjugate formats intended for high-throughput screening of labeling chemistries and assay chemistries in research environments.
Computed Properties
| XLogP3 | -8.2 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 41 |
| Rotatable Bond Count | 122 |
| Exact Mass | 2325.2813846 g/mol |
| Monoisotopic Mass | 2324.2780297 g/mol |
| Topological Polar Surface Area | 571Ų |
| Heavy Atom Count | 163 |
| Formal Charge | 0 |
| Complexity | 3730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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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