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Sulfo DBCO-PEG4-TFP ester
| Catalog Number | R01-0419 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C39H41F4N3O12S |
| Molecular Weight | 851.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo DBCO-PEG4-TFP ester is a heterobifunctional crosslinker that features a dibenzocyclooctyne (DBCO) moiety and a tetrafluorophenyl (TFP) ester, linked by a polyethylene glycol (PEG) spacer. The DBCO group participates in strain-promoted azide-alkyne cycloaddition (SPAAC), enabling copper-free click chemistry reactions with azide-functionalized molecules, while the TFP ester reacts efficiently with primary amines under mild conditions, facilitating bioconjugation and surface modification. This reagent is commonly incorporated into labeling chemistry and polymer functionalization applications, where its PEG spacer enhances solubility and reduces steric hindrance, supporting versatile conjugation strategies in bioorthogonal chemistry contexts.
Chemical Information
Product Specification
Computed Properties
Chemical Information
| IUPAC Name | 1-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-1-oxo-3-[3-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propane-2-sulfonic acid |
| SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CNC(=O)CCOCCOCCOCCOCCC(=O)OC4=C(C(=CC(=C4F)F)F)F)S(=O)(=O)O |
| InChI | InChI=1S/C39H41F4N3O12S/c40-29-23-30(41)37(43)38(36(29)42)58-35(49)13-16-55-18-20-57-22-21-56-19-17-54-15-12-33(47)45-24-32(59(51,52)53)39(50)44-14-11-34(48)46-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-31(27)46/h1-8,23,32H,11-22,24-25H2,(H,44,50)(H,45,47)(H,51,52,53) |
| InChIKey | ZUVGKZIBBJJSQX-UHFFFAOYSA-N |
Product Specification
| Storage | -20 °C |
Computed Properties
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 24 |
| Exact Mass | 851.23470757 g/mol |
| Monoisotopic Mass | 851.23470757 g/mol |
| Topological Polar Surface Area | 205Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1530 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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