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Sulfo DBCO-PEG4-Maleimide | CAS 2055198-07-5
| Catalog Number | R01-0385 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₉H₄₇N₅O₁₃S |
| Molecular Weight | 825.88 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo DBCO-PEG4-Maleimide is a polyethylene glycol (PEG)-based PROTAC linker. Sulfo DBCO-PEG4-Maleimide can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | DBCO-Sulfo-PEG4-Maleimide; 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]-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxopropane-2-sulfonic acid |
| Purity | 90% |
| 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]-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxopropane-2-sulfonic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)S(=O)(=O)O |
| InChI | InChI=1S/C39H47N5O13S/c45-34(14-18-43-36(47)11-12-37(43)48)40-17-20-55-22-24-57-26-25-56-23-21-54-19-15-35(46)42-27-33(58(51,52)53)39(50)41-16-13-38(49)44-28-31-7-2-1-5-29(31)9-10-30-6-3-4-8-32(30)44/h1-8,11-12,33H,13-28H2,(H,40,45)(H,41,50)(H,42,46)(H,51,52,53) |
| InChIKey | QXLOITKOSRDQIZ-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 25 |
| Exact Mass | 825.28910774 g/mol |
| Monoisotopic Mass | 825.28910774 g/mol |
| Topological Polar Surface Area | 245Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1600 |
| 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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