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DBCO-NHCO-PEG13-NHS ester
| Catalog Number | R01-0422 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₅₂H₇₅N₃O₁₉ |
| Molecular Weight | 1046.16 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0422 | -- | $-- |
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Product Introduction
DBCO-NHCO-PEG13-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-NHCO-PEG13-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | DBCO-NH-PEG13-NHS ester; DBCO-NH-PEG12-CH2CH2COONHS ester; dibenzoazacyclooctyne-trideca(ethylene glycol)-propanoic acid succinimidyl ester |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[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-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C52H75N3O19/c56-48(53-16-13-49(57)54-43-46-7-2-1-5-44(46)9-10-45-6-3-4-8-47(45)54)14-17-61-19-21-63-23-25-65-27-29-67-31-33-69-35-37-71-39-41-73-42-40-72-38-36-70-34-32-68-30-28-66-26-24-64-22-20-62-18-15-52(60)74-55-50(58)11-12-51(55)59/h1-8H,11-43H2,(H,53,56) |
| InChI Key | HJSJNWDWFIZPPW-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 47 |
| Exact Mass | 1045.49947717 g/mol |
| Monoisotopic Mass | 1045.49947717 g/mol |
| Topological Polar Surface Area | 233Ų |
| Heavy Atom Count | 74 |
| Formal Charge | 0 |
| Complexity | 1580 |
| 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-2020139362-A1 | Proto-Antigen-Presenting Synthetic Surfaces, Activated T Cells, and Uses Thereof | 2018-10-18 |
| US-2020299351-A1 | Antigen-Presenting Synthetic Surfaces, Covalently Functionalized Surfaces, Activated T Cells, and Uses Thereof | 2017-07-21 |
Applications of Fluorescent Probes & Dyes
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