AF488 carboxylic acid

Product Introduction

AF488 is a bright green-fluorescent dye that is commonly used in microscopy and cell assays because of its photostability. AF488 can be used with DAPI and is well suited to multiplex assay. This high quantum yield dye has fluorescence stability within the pH range from 4 to 10.,AF488 carboxylic acid is a non-reactive AF488 form that can be used as a reference standard in experiments where AF488 conjugates are used. The carboxylic acid can be also used for the synthesis of activated esters [such as sulfo-NHS, TFP (2,3,5,6-tetrafluorophenol) and STP (4-sulfo-2,3,5,6-tetrafluorophenol)] or modified with hydrazines, hydroxylamines, or amines in aqueous solutions using water-soluble carbodiimides. Thus, this derivative can be conjugated to molecules that contain amino groups, such as proteins, antibodies, and peptides. Therefore, AF488 carboxylic acid is used during solid-phase peptide synthesis for peptide modification in situ in the presence of activating agents such as HATU.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	4-(3-amino-6-imino-4,5-disulfonatoxanthen-9-yl)-3-carboxybenzoate
Canonical SMILES	C1=CC(=C(C=C1C(=O)[O-])C(=O)O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4S(=O)(=O)[O-])N)S(=O)(=O)[O-]
InChI	InChI=1S/C21H14N2O11S2/c22-13-5-3-10-15(9-2-1-8(20(24)25)7-12(9)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30/h1-7,22H,23H2,(H,24,25)(H,26,27)(H,28,29,30)(H,31,32,33)/p-3
InChI Key	IGAZHQIYONOHQN-UHFFFAOYSA-K
Solubility	Good in DMSO, DMF
Appearance	Orange crystals

Computed Properties
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	530.98042652 g/mol
Monoisotopic Mass	530.98042652 g/mol
Topological Polar Surface Area	268Ų
Heavy Atom Count	36
Formal Charge	-3
Complexity	1290
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