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N-(DBCO-PEG4)-N-Biotin-PEG4-NHS | 2353409-72-8
| Catalog Number | R01-0324 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₅₄H₇₄N₆O₁₆S |
| Molecular Weight | 1095.26 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0324 | -- | $-- |
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Product Introduction
N-(DBCO-PEG4)-N-Biotin-PEG4-NHS is a polyethylene glycol (PEG)-based PROTAC linker. N-(DBCO-PEG4)-N-Biotin-PEG4-NHS can be used in the synthesis of a series of PROTACs.
Chemical Information |
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| Synonyms | 2,5-dioxopyrrolidin-1-yl 1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[14-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-3,6,9,12-tetraoxatetradecan-1-yl]pentanamido}-3,6,9,12-tetraoxape |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[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]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C(=O)CCCCC5C6C(CS5)NC(=O)N6 |
| InChI | InChI=1S/C54H74N6O16S/c61-47(15-16-49(63)59-39-43-9-2-1-7-41(43)13-14-42-8-3-4-10-45(42)59)55-20-24-69-28-32-73-36-38-75-34-30-71-26-22-58(48(62)12-6-5-11-46-53-44(40-77-46)56-54(67)57-53)21-25-70-29-33-74-37-35-72-31-27-68-23-19-52(66)76-60-50(64)17-18-51(60)65/h1-4,7-10,44,46,53H,5-6,11-12,15-40H2,(H,55,61)(H2,56,57,67)/t44-,46-,53-/m0/s1 |
| InChI Key | WGXIBGJQQHWGKY-XVESOEPISA-N |
| Solubility | Water, DCM, DMF |
- Product Specification
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 40 |
| Exact Mass | 1094.48820147 g/mol |
| Monoisotopic Mass | 1094.48820147 g/mol |
| Topological Polar Surface Area | 274Ų |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 1910 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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