Coumarin 343 X NHS ester

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Coumarin 343 X NHS ester

Coumarin 343 X NHS ester | 946123-12-2

Catelog Number R01-0014
Category Coumarin
Molecular Formula C26H29N3O7
Molecular Weight 495.52
Catalog Number Size Price Quantity
R01-0014 -- $--

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

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

Product Specification

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 122Ų
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 NumberTitlePriority 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
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