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DBCO-PEG12-acid
| Catalog Number | R01-0295 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₄₆H₆₈N₂O₁₆ |
| Molecular Weight | 905.04 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0295 | -- | $-- |
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Product Introduction
DBCO-PEG12-acid is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG12-acid can be used in the synthesis of a series of PROTACs.
Chemical Information |
|
|---|---|
| Purity | >95% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C46H68N2O16/c49-44(11-12-45(50)48-39-42-7-2-1-5-40(42)9-10-41-6-3-4-8-43(41)48)47-14-16-54-18-20-56-22-24-58-26-28-60-30-32-62-34-36-64-38-37-63-35-33-61-31-29-59-27-25-57-23-21-55-19-17-53-15-13-46(51)52/h1-8H,11-39H2,(H,47,49)(H,51,52) |
| InChI Key | JTMLLRMZFUPHIS-UHFFFAOYSA-N |
| Solubility | DCM, THF, acetonitrile, DMF and DMSO |
| Appearance | Yellow oil |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 42 |
| Exact Mass | 904.45688409 g/mol |
| Monoisotopic Mass | 904.45688409 g/mol |
| Topological Polar Surface Area | 198Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1250 |
| 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-2022096648-A1 | Antibody-drug conjugates comprising glp1 peptidomimetics and uses thereof | 2020-09-14 |
Applications of Fluorescent Probes & Dyes
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