ChemicalBook--->CAS DataBase List--->2451479-57-3

2451479-57-3

2451479-57-3 Structure

2451479-57-3 Structure
IdentificationBack Directory
[Name]

2-Propenamide, 3-(4-fluorophenyl)-N-(2-oxo-2H-1-benzopyran-6-yl)-, (2E)-
[CAS]

2451479-57-3
[Synonyms]

hCAIX-IN-5
2-Propenamide, 3-(4-fluorophenyl)-N-(2-oxo-2H-1-benzopyran-6-yl)-, (2E)-
[Molecular Formula]

C18H12FNO3
[MOL File]

2451479-57-3.mol
[Molecular Weight]

309.29
Chemical PropertiesBack Directory
[Boiling point ]

565.9±50.0 °C(Predicted)
[density ]

1.385±0.06 g/cm3(Predicted)
[pka]

11.80±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

hCAIX-IN-5 (compound 6b) is a potent and selective hCAIX inhibitor with KIs of >10000, >10000, 130.7, 829.1 nM for hCAI, hCAII, hCAIV, hCAIX, respectively[1].
[References]

[1] Swain B, et al. New coumarin/sulfocoumarin linked phenylacrylamides as selective transmembrane carbonic anhydrase inhibitors: Synthesis and in-vitro biological evaluation. Bioorg Med Chem. 2020 Aug 1;28(15):115586. DOI:10.1016/j.bmc.2020.115586
Spectrum DetailBack Directory
[Spectrum Detail]

2-Propenamide, 3-(4-fluorophenyl)-N-(2-oxo-2H-1-benzopyran-6-yl)-, (2E)-(2451479-57-3)1HNMR
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