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N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 | CAS 2107273-76-5
| Catalog Number | A17-0143 |
| Category | Cyanine5 |
| Molecular Formula | C₆₃H₇₉ClN₄O₁₀ |
| Molecular Weight | 1087.78 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)CCOCCOCCOCCOC)C.[Cl-] |
| InChI | InChI=1S/C63H78N4O10.ClH/c1-62(2)53-20-12-15-23-56(53)65(32-35-72-40-43-76-46-45-74-38-37-70-5)58(62)25-7-6-8-26-59-63(3,4)54-21-13-16-24-57(54)66(59)33-36-73-41-44-77-48-47-75-42-39-71-34-30-60(68)64-31-29-61(69)67-49-52-19-10-9-17-50(52)27-28-51-18-11-14-22-55(51)67;/h6-26H,29-49H2,1-5H3;1H |
| InChIKey | RDGUSQKZQVKRJY-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Excitation | 649 |
| Emission | 667 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 33 |
| Exact Mass | 1086.5484724 g/mol |
| Monoisotopic Mass | 1086.5484724 g/mol |
| Topological Polar Surface Area | 130Ų |
| Heavy Atom Count | 78 |
| Formal Charge | 0 |
| Complexity | 1990 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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