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2204230-40-8

2204230-40-8 Structure

2204230-40-8 Structure
IdentificationBack Directory
[Name]

1H-Pyrazole-4-carboxamide, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-
[CAS]

2204230-40-8
[Synonyms]

CM121
1H-Pyrazole-4-carboxamide, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-
[Molecular Formula]

C24H17FN4O3S
[MOL File]

2204230-40-8.mol
[Molecular Weight]

460.48
Chemical PropertiesBack Directory
[Boiling point ]

638.1±55.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[pka]

11.22±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

CM121 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.54 μM;Kd=1.1 μM) with a variety of hydrophobic interactions[1].
[References]

[1] Chen Y, et al. Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem Biol. 2018;13(3):582-590
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