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DBCO-PEG1-NHS ester | 2228857-34-7
| Catalog Number | R01-0432 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₂₈H₂₇N₃O₇ |
| Molecular Weight | 517.53 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0432 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG1-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG1-NHS ester can be used in the synthesis of a series of PROTACs.
- Chemical Information
- Product Specification
| Synonyms | (2,5-dioxopyrrolidin-1-yl) 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]propanoate; 2,5-dioxopyrrolidin-1-yl 3-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]propanoate |
| Purity | 98% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 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]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C28H27N3O7/c32-24(29-16-18-37-17-15-28(36)38-31-26(34)13-14-27(31)35)11-12-25(33)30-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)30/h1-8H,11-19H2,(H,29,32) |
| InChI Key | TYDZSBPFYBWRTP-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 517.18490021 g/mol |
| Monoisotopic Mass | 517.18490021 g/mol |
| Topological Polar Surface Area | 122Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 967 |
| 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 |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2020282075-A1 | Albumin-modified nanoparticles carrying a targeting ligand | 2017-09-07 |
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