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2414629-94-8

2414629-94-8 Structure

2414629-94-8 Structure
IdentificationBack Directory
[Name]

2H-1-Benzopyran-2-one, 4-methyl-7-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]-
[CAS]

2414629-94-8
[Synonyms]

hCAIX/XII-IN-3
2H-1-Benzopyran-2-one, 4-methyl-7-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]-
[Molecular Formula]

C20H13F3N2O4
[MOL File]

2414629-94-8.mol
[Molecular Weight]

402.32
Chemical PropertiesBack Directory
[Boiling point ]

560.8±60.0 °C(Predicted)
[density ]

1.397±0.06 g/cm3(Predicted)
[pka]

-3.14±0.37(Predicted)
Hazard InformationBack Directory
[Uses]

hCAIX/XII-IN-3 (compound 6q) is a potent and selective hCAIX and hCAXIIinhibitor with Ki values of >10000, >10000, 66.2, 4.4 nM for hCAI, hCAII, hCAIX and hCAXII, respectively[1].
[References]

[1] Thacker PS, et al. Design, synthesis and biological evaluation of coumarin linked 1,2,4-oxadiazoles as selective carbonic anhydrase IX and XII inhibitors. Bioorg Chem. 2020 May;98:103739. DOI:10.1016/j.bioorg.2020.103739
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