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Product Introduction
Cyanine3 tetrazine is a fluorescent dye with tetrazine moiety for a conjugation reaction called TCO (trans-cyclooctene) ligation. Actually, tetrazines react not only with trans-cyclooctenes, but also with (methyl)cyclopropenes and strained non-benzo-fused cycloalkynes.Cyanine3 is a moderately hydrophobic dye, enabling labeling in non-aqueous environment as well as in aqueous media containing some organic co-solvent like acetonitrile or DMSO. For reactions in purely aqueous media, a sulfonated version of this reagent is available.
Chemical Information
Product Specification
Computed Properties
Purity |
NMR 1H, HPLC-MS (95%) |
IUPAC Name |
6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]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=CC5=[N+](C6=CC=CC=C6C5(C)C)C)(C)C |
InChI |
InChI=1S/C40H45N7O/c1-28-42-44-38(45-43-28)30-24-22-29(23-25-30)27-41-37(48)21-8-7-13-26-47-34-18-12-10-16-32(34)40(4,5)36(47)20-14-19-35-39(2,3)31-15-9-11-17-33(31)46(35)6/h9-12,14-20,22-25H,7-8,13,21,26-27H2,1-6H3/p+1 |
InChIKey |
LZSZEWSNRFPYNS-UHFFFAOYSA-O |
Solubility |
good in DCM, DMSO, DMF |
Appearance |
dark red solid |
ε, L⋅mol-1⋅cm-1 |
150000 |
Fluorescence Quantum Yield |
0.31 |
Excitation |
555 |
Emission |
570 |
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. |
XLogP3 |
6.2 |
Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
6 |
Rotatable Bond Count |
11 |
Exact Mass |
640.37638412 g/mol |
Monoisotopic Mass |
640.37638412 g/mol |
Topological Polar Surface Area |
86.9Ų |
Heavy Atom Count |
48 |
Formal Charge |
1 |
Complexity |
1190 |
Isotope Atom Count |
0 |
Defined Atom Stereocenter Count |
0 |
Undefined Atom Stereocenter Count |
0 |
Defined Bond Stereocenter Count |
0 |
Undefined Bond Stereocenter Count |
2 |
Covalently-Bonded Unit Count |
1 |
Compound Is Canonicalized |
Yes |