| Identification | Back Directory | [Name]
4-Imidazolidinone, 3-cyclohexyl-5-[[4-[(2-hydroxyethyl)methylamino]phenyl]methylene]-1-methyl-2-thioxo-, (5E)- | [CAS]
2762405-17-2 | [Synonyms]
4-Imidazolidinone, 3-cyclohexyl-5-[[4-[(2-hydroxyethyl)methylamino]phenyl]methylene]-1-methyl-2-thioxo-, (5E)- | [Molecular Formula]
C20H27N3O2S | [MOL File]
2762405-17-2.mol | [Molecular Weight]
373.51 |
| Chemical Properties | Back Directory | [Boiling point ]
540.2±60.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
14.59±0.10(Predicted) | [color ]
Orange to red |
| Hazard Information | Back Directory | [Uses]
NADPH oxidase-IN-1 is an orally active NADPH oxidase (Nox) inhibitor, related with neuronal inflammation. NADPH oxidase-IN-1 can cross the blood-brain barrier (BBB), inhibits Nox2 and Nox4 with IC50s of 1.9 μM and 2.47 μM, respectively. NADPH oxidase-IN-1 suppresses pro-inflammatory cytokines production and LPS-mediated microglial migration, also has in vivo efficacy[1]. | [in vivo]
NADPH oxidase-IN-1 (compound 11) (30 mg/kg; p.o.; daily for 4 wk) attenuates MPTP induced microglia activation and diminishes dopaminergic neuronal damage in Parkinson's disease (PD) mice model[1].
NADPH oxidase-IN-1 is safe in both male and female mice following IV injection (10-300 mg/kg; single dose) and oral gavage (10-1000 mg/kg; single dose), respectively[1].
Pharmacokinetic profile in rats | Parameters | C0 (μg/mL) | Cmax (μg/mL) | t1/2 (h) | Tmax (h) | AUClast (μg/h/mL) | ke (1/h) | Vd (L) | Vd/F (L) | Cl (L/h) | Cl/F (L/h) | F (%) | | IV (2 mg/kg) | 1.70 | | 0.79 | | 0.468 | 1.32 | 0.211 | | 0.217 | | | | PO (10 mg/kg) | | 0.609 | 5.01 | [0.083-2] | 1.31 | 0.170 | | 1.99 | | 0.341 | 56.0 | | PO (20 mg/kg) | | 0.783 | 6.13 | [0.67-2] | 4.16 | 0.159 | | 1.82 | | 0.217 | 88.9 |
| [IC 50]
NOX2: 1.9 μM (IC50); NOX4: 2.47 μM (IC50) | [References]
[1] Shim S, et al. Discovery of a NADPH oxidase inhibitor,(E)-3-cyclohexyl-5-(4-((2-hydroxyethyl)(methyl) amino) benzylidene)-1-methyl-2-thioxoimidazolidin-4-oneone, as a novel therapeutic for Parkinson's disease[J]. European Journal of Medicinal Chemistry, 2022, 244: 114854. |
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