Cyanine5.5 hydrazide

Product Introduction

Cyanine5.5 hydrazide is a carbonyl-reactive near infrared dye. Hydrazides quickly react with carbonyl compounds, such as aldehydes and ketones, and form stable hydrazones. This reaction is useful for the preparation of labeled conjugates.Carbonyl groups in biomolecules can form spontaneously after oxidative stress or deamination of proteins. Alternatively, aldehyde groups can be specifically generated by periodate oxidation of sugar residues of glycoproteins, for example antibodies. Antibodies can be oxidized by sodium periodate and labeled with Cyanine5.5 hydrazide to form Cyanine5.5 labeled antibodies. Since sugar residues in antibodies are located far from variable, epitope-binding site, this method is particularly good for the labeling of antibodies.

Chemical Information
Related CAS	2280971-80-2 (without anion)
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	[6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoylamino]azanium;dichloride
Canonical SMILES	CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)N[NH3+])C=CC6=CC=CC=C65)(C)C)C.[Cl-].[Cl-]
InChI	InChI=1S/C40H44N4O.2ClH/c1-39(2)34(43(5)32-25-23-28-16-11-13-18-30(28)37(32)39)20-8-6-9-21-35-40(3,4)38-31-19-14-12-17-29(31)24-26-33(38)44(35)27-15-7-10-22-36(45)42-41;;/h6,8-9,11-14,16-21,23-26H,7,10,15,22,27,41H2,1-5H3;2*1H
InChI Key	OZQXTPNFHISECI-UHFFFAOYSA-N
Solubility	practically insoluble in water (< 2 uM), good in polar organic solvents (DMF, DMSO, alcohols)
Appearance	dark blue powder

Product Specification
ε, L⋅mol-1⋅cm-1	198000
Fluorescence Quantum Yield	0.2
Excitation	684
Emission	710
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	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	668.3048675 g/mol
Monoisotopic Mass	668.3048675 g/mol
Topological Polar Surface Area	63Ų
Heavy Atom Count	47
Formal Charge	0
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	3
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes