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Product Introduction
BDP 581/591 is a borondipyrromethene dye that has relatively long fluorescence lifetime and two photon excitation cross section. It is useful for fluorescence polarization assays. Due to the presence of a diene system, it can react with reactive oxygen species (ROS) with a change of fluorescence. This is the NHS ester derivative for the conjugation with primary and secondary amine groups of proteins, peptides, and other molecules.
Chemical Information
Product Specification
Computed Properties
| Synonyms |
BDP581/591NHSester |
| Purity |
NMR 1H, HPLC-MS (95%) |
| IUPAC Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate |
| Canonical SMILES |
[B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C=CC=CC5=CC=CC=C5)(F)F |
| InChI |
InChI=1S/C26H22BF2N3O4/c28-27(29)30-20(9-5-4-8-19-6-2-1-3-7-19)10-12-22(30)18-23-13-11-21(31(23)27)14-17-26(35)36-32-24(33)15-16-25(32)34/h1-13,18H,14-17H2/b8-4+,9-5+ |
| InChIKey |
HHJAMTPLXKVOAY-KBXRYBNXSA-N |
| Solubility |
good in DMF, DMSO, DCM |
| Appearance |
dark colored solid |
| ε, L⋅mol-1⋅cm-1 |
104000 |
| Fluorescence Quantum Yield |
0.83 |
| Excitation |
585 |
| Emission |
594 |
| 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. |
| Hydrogen Bond Donor Count |
0 |
| Hydrogen Bond Acceptor Count |
7 |
| Rotatable Bond Count |
8 |
| Exact Mass |
489.1671427 g/mol |
| Monoisotopic Mass |
489.1671427 g/mol |
| Topological Polar Surface Area |
71.6Ų |
| Heavy Atom Count |
36 |
| Formal Charge |
0 |
| Complexity |
1070 |
| Isotope Atom Count |
0 |
| Defined Atom Stereocenter Count |
0 |
| Undefined Atom Stereocenter Count |
0 |
| Defined Bond Stereocenter Count |
2 |
| Undefined Bond Stereocenter Count |
0 |
| Covalently-Bonded Unit Count |
1 |
| Compound Is Canonicalized |
Yes |