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DBCO-PEG9-amine | 2353409-99-9
| Catelog Number | R01-0402 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₉H₅₇N₃O₁₁ |
| Molecular Weight | 743.88 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0402 | -- | $-- |
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Product Introduction
DBCO-PEG9-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-amine can be used in the synthesis of a series of PROTACs.
Chemical Information |
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|---|---|
| Synonyms | DBCO-PEG9-amine TFA salt |
| Purity | 98% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C39H57N3O11/c40-13-15-45-17-19-47-21-23-49-25-27-51-29-31-53-32-30-52-28-26-50-24-22-48-20-18-46-16-14-41-38(43)11-12-39(44)42-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)42/h1-8H,11-33,40H2,(H,41,43) |
| InChI Key | ONUWAJBCFPYIFM-UHFFFAOYSA-N |
| Solubility | In DMSO: 100 mg/mL (134.43 mM; Need ultrasonic) |
Product Specification |
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|---|---|
| Storage | -20°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light) |
Computed Properties | |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 32 |
| Exact Mass | 743.39930964 g/mol |
| Monoisotopic Mass | 743.39930964 g/mol |
| Topological Polar Surface Area | 159Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1010 |
| 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 |
Applications of Fluorescent Probes & Dyes
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