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Sulfo-Cyanine7.5 NHS ester
| Catalog Number | R01-0036 |
| Category | sulfo-Cyanine7.5 |
| Molecular Formula | C49H48N3K3O16S4 |
| Molecular Weight | 1180.47 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0036 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Cyanine7.5 is a near infrared water soluble and hydrophilic dye for the NIR imaging applications. The structure and spectra of the dye resemble indocyanine green (ICG) that has been approved for use in humans for years. However, unlike ICG, sulfo-Cyanine7.5 contains a trimethylene bridge that increases its quantum yield compared to ICG, and also has a linker arm for its attachment to proteins, peptides, and other molecules. This derivative is an NHS ester for the modification of amine groups.
- Chemical Information
- Product Specification
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | tripotassium;3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole-6,8-disulfonate |
| Canonical SMILES | CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)ON7C(=O)CCC7=O)C=CC8=C6C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+] |
| InChI | InChI=1S/C49H51N3O16S4.3K/c1-48(2)41(50(5)37-17-15-33-35(46(37)48)25-31(69(56,57)58)27-39(33)71(62,63)64)19-13-29-10-9-11-30(24-29)14-20-42-49(3,4)47-36-26-32(70(59,60)61)28-40(72(65,66)67)34(36)16-18-38(47)51(42)23-8-6-7-12-45(55)68-52-43(53)21-22-44(52)54;;;/h13-20,24-28H,6-12,21-23H2,1-5H3,(H3-,56,57,58,59,60,61,62,63,64,65,66,67);;;/q;3*+1/p-3 |
| InChI Key | TYSHGIUBDBFDOC-UHFFFAOYSA-K |
| Solubility | good in water, DMF, DMSO |
| Appearance | dark green solid |
| ε, L⋅mol-1⋅cm-1 | 222000 |
| Excitation | 778 |
| Emission | 797 |
| Storage | 12 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
Computed Properties | |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 14 |
| Exact Mass | 1179.0828616 g/mol |
| Monoisotopic Mass | 1179.0828616 g/mol |
| Topological Polar Surface Area | 332Ų |
| Heavy Atom Count | 75 |
| Formal Charge | 0 |
| Complexity | 2800 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |
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