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N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3 | CAS 2107273-64-1
| Catalog Number | A17-0128 |
| Category | Other Cyanine |
| Molecular Formula | C44H66ClN5O10 |
| Molecular Weight | 860.5 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| A17-0128 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3 is a PEG linker containing cyanine dye with excitation/emmission maximum 555/570 nm as well as an azide group, which enables Click Chemistry. The hydophilic PEG spacer increases solubility in aqueous media.
Chemical Information
Product Specification
Computed Properties
Patents
| Purity | 98% |
| IUPAC Name | 2-[(E,3E)-3-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]prop-1-enyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium;chloride |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)OCCOCCOCCOCCOCCN=[N+]=[N-])(C)C)C)C.[Cl-] |
| InChI | InChI=1S/C44H66N5O10.ClH/c1-43(2)37-33-35(58-31-29-56-27-25-54-22-21-52-18-17-50-7)11-13-39(37)48(5)41(43)9-8-10-42-44(3,4)38-34-36(12-14-40(38)49(42)6)59-32-30-57-28-26-55-24-23-53-20-19-51-16-15-46-47-45;/h8-14,33-34H,15-32H2,1-7H3;1H/q+1;/p-1 |
| InChIKey | FHRNKBLFTPHSBL-UHFFFAOYSA-M |
| Solubility | Water, DMSO, DMF, DCM |
| Excitation | 555 |
| Emission | 570 |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 31 |
| Exact Mass | 859.4498210 g/mol |
| Monoisotopic Mass | 859.4498210 g/mol |
| Topological Polar Surface Area | 113Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1340 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
| 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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