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N-methyl-N'-(azide-PEG3)-Cy3 | CAS 2107273-16-3
| Catalog Number | A17-0130 |
| Category | Cyanine3 |
| Molecular Formula | C32H42ClN5O3 |
| Molecular Weight | 580.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-methyl-N'-(azide-PEG3)-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 | 97% |
| IUPAC Name | (2E)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCN=[N+]=[N-])(C)C)C)C.[Cl-] |
| InChI | InChI=1S/C32H42N5O3.ClH/c1-31(2)25-11-6-8-13-27(25)36(5)29(31)15-10-16-30-32(3,4)26-12-7-9-14-28(26)37(30)18-20-39-22-24-40-23-21-38-19-17-34-35-33;/h6-16H,17-24H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | SGXCJGKDAXLWKL-UHFFFAOYSA-M |
| Solubility | DMSO, DMF, DCM, low solubility in water |
| Excitation | 555 |
| Emission | 570 |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 579.2976179 g/mol |
| Monoisotopic Mass | 579.2976179 g/mol |
| Topological Polar Surface Area | 48.3Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 981 |
| 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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