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Cyanine7 tetrazine
| Catelog Number | R08-0009 |
| Category | Tetrazines |
| Molecular Formula | C47H54N7F6OP |
| Molecular Weight | 877.94 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0009 | -- | $-- |
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Product Introduction
TCO ligation is a reaction that takes place between a tetrazine and a strained olefin, such as trans-cyclooctene. This tetrazine bears a fragment of near infrared dye, Cyanine7. This NIR fluorophore is especially useful for in vivo imaging.
Chemical Information |
|
|---|---|
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 6-[3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=CC=CC=C4C(C3=CC=C5CCCC(=C5)C=CC6=[N+](C7=CC=CC=C7C6(C)C)C)(C)C |
| InChI | InChI=1S/C47H53N7O/c1-33-49-51-45(52-50-33)37-26-22-36(23-27-37)32-48-44(55)21-8-7-13-30-54-41-20-12-10-18-39(41)47(4,5)43(54)29-25-35-16-14-15-34(31-35)24-28-42-46(2,3)38-17-9-11-19-40(38)53(42)6/h9-12,17-20,22-29,31H,7-8,13-16,21,30,32H2,1-6H3/p+1 |
| InChI Key | OJZLXQNLXPBGPW-UHFFFAOYSA-O |
| Solubility | good in DMF, DMSO, DCM |
| Appearance | dark colored solid |
Product Specification |
|
|---|---|
| ε, L⋅mol-1⋅cm-1 | 199000 |
| Excitation | 750 |
| Emission | 773 |
| 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 | |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 732.43898437 g/mol |
| Monoisotopic Mass | 732.43898437 g/mol |
| Topological Polar Surface Area | 86.9Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 1 |
| Complexity | 1490 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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