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Sulfo-Cyanine5 tetrazine
| Catelog Number | R08-0015 |
| Category | Tetrazines |
| Molecular Formula | C42H46KN7O7S2 |
| Molecular Weight | 864.09 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0015 | -- | $-- |
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Product Introduction
TCO (tetrazine – trans-cyclooctene) ligation is one of the fastest reactions used for bioconjugation. It is an inverse electron demand [4+2] cycloaddition that takes place between tetrazine and trans-cyclooctene or other strained olefin.Sulfo-Cyanine5 tetrazine is a fluorophore derivative bearing a tetrazine group for the TCO-ligation based labeling.
Chemical Information |
|
|---|---|
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | potassium;3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(C3=CC=CC=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)S(=O)(=O)[O-])C)(C)C.[K+] |
| InChI | InChI=1S/C42H47N7O7S2.K/c1-28-44-46-40(47-45-28)30-18-16-29(17-19-30)27-43-39(50)15-11-8-12-24-49-36-23-21-32(58(54,55)56)26-34(36)42(4,5)38(49)14-10-7-9-13-37-41(2,3)33-25-31(57(51,52)53)20-22-35(33)48(37)6;/h7,9-10,13-14,16-23,25-26H,8,11-12,15,24,27H2,1-6H3,(H2-,43,50,51,52,53,54,55,56);/q;+1/p-1 |
| InChI Key | XCNHGLRLKZXUKR-UHFFFAOYSA-M |
| Solubility | good in water, DMF, DMSO |
| Appearance | dark blue solid |
Product Specification |
|
|---|---|
| ε, L⋅mol-1⋅cm-1 | 271000 |
| Fluorescence Quantum Yield | 0.28 |
| Excitation | 646 |
| Emission | 662 |
| Storage | 24 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 | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 863.25372066 g/mol |
| Monoisotopic Mass | 863.25372066 g/mol |
| Topological Polar Surface Area | 218Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1800 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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