| Identification | Back Directory | [Name]
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-, (2E)- | [CAS]
2987884-27-3 | [Synonyms]
2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-, (2E)- | [Molecular Formula]
C24H18FN3O6 | [MOL File]
2987884-27-3.mol | [Molecular Weight]
463.42 |
| Chemical Properties | Back Directory | [Boiling point ]
718.0±60.0 °C(predicted) | [density ]
1.444±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
5.06±0.50(predicted) |
| Hazard Information | Back Directory | [Uses]
COMT-IN-1 (compound C12), a nitrophenolic analogue, is an orally active dopamine metabolic enzyme catechol-O-methyltransferase (COMT) inhibitor with IC50s of 0.37 μM, 95.58 μM and 58.82 μM for COMT, MAO-A and MAO-B, respectively. COMT-IN-1 exhibits chelation with a variety of metal ions. COMT-IN-1 exhibits good BBB permeability. COMT-IN-1 improves dopamine levels and ameliorates MPTP (HY-15608)-induced Parkinson's disease (PD) symptoms in mice[1]. | [IC 50]
COMT: 0.37 μM (IC50); MAO-A: 95.58 μM (IC50); MAO-B: 58.82 μM (IC50) | [References]
[1] Manxing Zou, et al. Identification and optimization of nitrophenolic analogues as dopamine metabolic enzyme inhibitors for the treatment of Parkinson's disease. Bioorg Chem. 2024 Jul:148:107488. DOI:10.1016/j.bioorg.2024.107488 |
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