| Identification | Back Directory | [Name]
Acetamide, N-(4-bromo-2-methylphenyl)-2-[[(7-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]methylamino]- | [CAS]
1057882-82-2 | [Synonyms]
Acetamide, N-(4-bromo-2-methylphenyl)-2-[[(7-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]methylamino]- | [Molecular Formula]
C21H21BrN2O4 | [MOL File]
1057882-82-2.mol | [Molecular Weight]
445.31 |
| Chemical Properties | Back Directory | [Boiling point ]
635.0±55.0 °C(predicted) | [density ]
1.479±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
8.42±0.20(predicted) |
| Hazard Information | Back Directory | [Uses]
AKR1C3-IN-14 (compound 4) is an AKR1C3 inhibitor (IC50=0.122 μM) that reduces the overproduction of androgens by inhibiting the activity of the AKR1C3 enzyme, thereby regulating hormone-mediated signaling. AKR1C3-IN-14 also plays a role in the biosynthesis of the prostaglandin PGF2α, regulating cell proliferation by affecting this pathway. AKR1C3-IN-14 can be used in the study of prostate cancer[1]. | [References]
[1] Pippione A C, et al. AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications[J]. ACS Medicinal Chemistry Letters, 2024. |
|
|