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959613-39-9

959613-39-9 Structure

959613-39-9 Structure
IdentificationBack Directory
[Name]

N-(3-(4-bromophenyl)-propanoyl)-L-homoserine lactone
[CAS]

959613-39-9
[Synonyms]

N-(3-(4-bromophenyl)-propanoyl)-L-homoserine lactone
N-(3-(4-bromophenyl)-propanoyl)-L-homoserine lactone >=95%
Benzenepropanamide, 4-bromo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-
[Molecular Formula]

C13H14BrNO3
[MDL Number]

MFCD29037013
[MOL File]

959613-39-9.mol
[Molecular Weight]

312.16
Chemical PropertiesBack Directory
[Boiling point ]

571.9±50.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[pka]

14.41±0.20(Predicted)
[InChI]

1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
[InChIKey]

SGDZSJUYCLTPRG-NSHDSACASA-N
[SMILES]

O=C(OCC1)[C@@]1([H])NC(CCC2=CC=C(Br)C=C2)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

AHL analog is a strong, broad-spectrum inhibitor of numerous LuxR-type receptors (e.g.: LuxR from Vibrio fischeri, LasR from P. aeruginosa, and TraR from Agrobacterium tumefaciens). This compound represents a good choice for initial testing of LuxR-type receptor inhibition.
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