BDP 576/589 tetrazine

Product Introduction

Because of its relatively long excited-state lifetime (about 5 nanoseconds), BDP 576/589 dye can be used in various methods based on measuring fluorescence lifetime. Similarly to other dyes of the BDP family, BDP 576/589 has strong hydrophobic properties and is suitable for labeling non-polar and lypophilic biomolecules and their subsequent visualization by fluorescent microscopy, including two-photon microscopy.,This reagent is a tetrazine derivative that can be conjugated with various strained dienophiles such as trans-cyclooctenes and cyclopropenes. This reaction (TCO ligation) is considered to be one of the best bioconjugation reactions because it is very fast and selective in physiological conditions and does not require additional catalyzers, so it is not toxic in vitro and in vivo.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	3-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
Canonical SMILES	[B-]1(N2C(=CC=C2CCC(=O)NCC3=CC=C(C=C3)C4=NN=C(N=N4)C)C=C5[N+]1=C(C=C5)C6=CC=CN6)(F)F
InChI	InChI=1S/C26H23BF2N8O/c1-17-32-34-26(35-33-17)19-6-4-18(5-7-19)16-31-25(38)13-11-20-8-9-21-15-22-10-12-24(23-3-2-14-30-23)37(22)27(28,29)36(20)21/h2-10,12,14-15,30H,11,13,16H2,1H3,(H,31,38)
InChI Key	BFWVCPQOTHOHPO-UHFFFAOYSA-N
Solubility	Good in polar organic solvents
Appearance	Dark colored solid

Computed Properties
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	512.2055939 g/mol
Monoisotopic Mass	512.2055939 g/mol
Topological Polar Surface Area	104Ų
Heavy Atom Count	38
Formal Charge	0
Complexity	990
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes