![1-Butyl-2-[5-(1-butyl-1H-benzo[cd]indol-2-ylidene)-penta-1,3-dienyl]-benzo[cd]indolium tetrafluoroborate](https://resource.bocsci.com/structure/1135933-68-4.gif)
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N-(m-PEG9)-N'-(PEG5-acid)-Cy5 | CAS 2107273-26-5
| Catalog Number | A17-0173 |
| Category | Cyanine5 |
| Molecular Formula | C₅₇H₈₉ClN₂O₁₆ |
| Molecular Weight | 1093.77 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(m-PEG9)-N'-(PEG5-acid)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG9)-N'-(PEG5-acid)-Cy5 can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
Chemical Information
| Purity | 97% |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;chloride |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCOCCOCCOCCOCCOC)(C)C)CCOCCOCCOCCOCCOCCC(=O)O)C.[Cl-] |
| InChI | InChI=1S/C57H88N2O16.ClH/c1-56(2)49-13-9-11-15-51(49)58(20-23-64-28-31-68-36-39-71-38-35-67-30-27-63-22-19-55(60)61)53(56)17-7-6-8-18-54-57(3,4)50-14-10-12-16-52(50)59(54)21-24-65-29-32-69-37-40-72-43-44-74-47-48-75-46-45-73-42-41-70-34-33-66-26-25-62-5;/h6-18H,19-48H2,1-5H3;1H |
| InChIKey | UGQMQMLGHBYOHY-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
Product Specification
| Excitation | 649 |
| Emission | 667 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 48 |
| Exact Mass | 1092.5900624 g/mol |
| Monoisotopic Mass | 1092.5900624 g/mol |
| Topological Polar Surface Area | 173Ų |
| Heavy Atom Count | 76 |
| Formal Charge | 0 |
| Complexity | 1590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2017197916-A1 | Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof | 2016-01-08 |
| US-9862682-B2 | Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof | 2016-01-08 |
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