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910656-27-8

910656-27-8 Structure

910656-27-8 Structure
IdentificationBack Directory
[Name]

4-(4-Fluorophenyl)-7-[[[5-[(1S)-1-hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-2H-1-benzopyran-2-one
[CAS]

910656-27-8
[Synonyms]

MK-0633
Setileuton
Setileuton, 10 mM in DMSO
4-(4-fluorophenyl)-7-[[[5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
4-(4-Fluorophenyl)-7-[[[5-[(1S)-1-hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-[[[5-[(1S)-1-hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-
[Molecular Formula]

C22H17F4N3O4
[MDL Number]

MFCD16619367
[MOL File]

910656-27-8.mol
[Molecular Weight]

463.38
Chemical PropertiesBack Directory
[Melting point ]

92.9-94.3 °C
[Boiling point ]

609.6±65.0 °C(Predicted)
[density ]

1.478
[pka]

9.65±0.29(Predicted)
Hazard InformationBack Directory
[Uses]

Setileuton (MK-0633) is an inhibitor for 5-lipoxygenase, that inhibits the oxidation of arachidonic acid by recombinant human 5-LO, and the production of LTB4 in calcium ionophore-stimulated human whole blood, with IC50 of 3.9 and 52 nM, respectively[1].
[in vivo]

Setileuton (5 mg/kg, i.v.; or 20 mg/kg, p.o., single dose) exhibits good pharmacokinetic profils with a half-time T1/2 of 3.3 h, and a bioavailability of 66% in rat model[1].

[References]

[1] Ducharme Y, et al., The discovery of setileuton, a potent and selective 5-lipoxygenase inhibitor. ACS Med Chem Lett. 2010 Apr 13;1(4):170-4. DOI:10.1021/ml100029k
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Fluorophenyl)-7-[[[5-[(1S)-1-hydroxy-1-(trifluoromethyl)propyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-2H-1-benzopyran-2-one(910656-27-8)1HNMR
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