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DBCO-PEG1-acid | CAS 2228857-38-1
| Catalog Number | R01-0416 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₂₄H₂₄N₂O₅ |
| Molecular Weight | 420.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG1-acid is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG1-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 3-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]propanoic acid |
| Purity | 98% |
| IUPAC Name | 3-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCC(=O)O |
| InChI | InChI=1S/C24H24N2O5/c27-22(25-14-16-31-15-13-24(29)30)11-12-23(28)26-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)26/h1-8H,11-17H2,(H,25,27)(H,29,30) |
| InChIKey | WQWOQNUZPXTECB-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 420.16852187 g/mol |
| Monoisotopic Mass | 420.16852187 g/mol |
| Topological Polar Surface Area | 95.9Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 709 |
| 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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