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N-(m-PEG4)-N'-hydroxypropyl-Cy5 | CAS 2107273-20-9
| Catalog Number | A17-0137 |
| Category | Cyanine5 |
| Molecular Formula | C37H51ClN2O5 |
| Molecular Weight | 639.3 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(m-PEG4)-N'-hydroxypropyl-Cy5 is a cyanine labeled PEG linker with excitation/emmission maximum 649/667 nm containing hydroxyl group, which enables further derivatized or replaced with other reactive functional groups. Hydophilic PEG spacer increases solubility in aqueous media and reduces steric hindrance during binding.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-(3-hydroxypropyl)-3,3-dimethyl-3H-indol-1-ium chloride |
| Purity | 97% |
| IUPAC Name | 3-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]propan-1-ol;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCCO)C.[Cl-] |
| InChI | InChI=1S/C37H51N2O5.ClH/c1-36(2)30-14-9-11-16-32(30)38(20-13-22-40)34(36)18-7-6-8-19-35-37(3,4)31-15-10-12-17-33(31)39(35)21-23-42-26-27-44-29-28-43-25-24-41-5;/h6-12,14-19,40H,13,20-29H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | FKGCBDKCXSNHNK-UHFFFAOYSA-M |
| Solubility | Water, DMSO, DMF, DCM |
| Excitation | 649 |
| Emission | 667 |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 18 |
| Exact Mass | 638.3486504 g/mol |
| Monoisotopic Mass | 638.3486504 g/mol |
| Topological Polar Surface Area | 63.4Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1000 |
| 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 |
| 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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