Coumarin 343 X NHS ester | 946123-12-2

Catalog Number	R01-0014
Category	Coumarin
Molecular Formula	C26H29N3O7
Molecular Weight	495.52

Catalog Number	Size	Price	Quantity
R01-0014	--	$--

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Product Introduction

Blue emitting Coumarin 343 dye can form a FRET pair with fluorescein (FAM). An amine reactive form, activated NHS ester. This amine-reactive NHS ester contains an aminohexanoyl linker between the fluorophore, and the reactive group. This linker provides better solubility and spatial separation between the fluorophore, and the target molecule being labeled.

Chemical Information
Product Specification

Synonyms	Coumarin 343 X NHS
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 6-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonyl)amino]hexanoate
Canonical SMILES	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)NCCCCCC(=O)ON5C(=O)CCC5=O)CCCN3C1
InChI	InChI=1S/C26H29N3O7/c30-20-9-10-21(31)29(20)36-22(32)8-2-1-3-11-27-25(33)19-15-17-14-16-6-4-12-28-13-5-7-18(23(16)28)24(17)35-26(19)34/h14-15H,1-13H2,(H,27,33)
InChI Key	UTYUORAKIFFNAS-UHFFFAOYSA-N
Solubility	good in DCM, DMSO, DMF
Appearance	yellow solid

ε, L⋅mol-1⋅cm-1	39000
Fluorescence Quantum Yield	0.63
Excitation	437
Emission	477
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.

Computed Properties
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	495.20055027 g/mol
Monoisotopic Mass	495.20055027 g/mol
Topological Polar Surface Area	122Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	947
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

Patents

Publication Number	Title	Priority Date
EP-1842923-A1	Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them.	2006-02-20
EP-1842923-B1	Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them	2006-02-20
US-2007196852-A1	Labeling reagent	2006-02-20
US-7759470-B2	Labeling reagent	2006-02-20