Molecular Formula | C17H15N3O6S2 |
Molar Mass | 421.45 |
Density | 1.471±0.06 g/cm3 (20 ºC 760 Torr) |
Melting Point | 185℃ |
Boling Point | 627.4±65.0 °C(Predicted) |
Solubility | DMSO: ≥15mg/mL |
Appearance | Yellow solid |
Color | faint yellow to yellow |
pKa | 6.29±0.10(Predicted) |
Storage Condition | 2-8°C |
In vitro study | In gerbils, a dose of 30 µmol/kg po (12.64 µg/kg Ro 61-8048, compound 16) leads to inhibition of the cerebral enzyme which peaked after 2h (∼85% inhibition) and persisted for up to 8 h. Ro 61-8048 (0.1-100 μM) strongly reduces QUIN neo-formation, suggesting that, in vitro, kynurenine hydroxylase activity is required for QUIN neosynthesis. |
In vivo study | In gerbils and rat models, Ro 61-8048 (30 mg/kg, p.o.) induces inhibition of kynurenine 3-hydroxylase. PD 61-8048 (40 mg/kg, p.o.) reduced ischemic brain damage in models of focal or global cerebral ischemia. In a hamster model of paroxysmal dyskinesia, Ro 61-8048 (150 mg/kg I. p.) significantly reduced the severity of dyskinesia without significant side effects. In addition, the fetal inhibition of the kynurenine pathway by PD 61-8048 resulted in structural changes in the hippocampus of adult rat offspring. |
Hazard Symbols | T - Toxic![]() |
Risk Codes | R25 - Toxic if swallowed R36 - Irritating to the eyes |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
WGK Germany | 3 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.373 ml | 11.864 ml | 23.728 ml |
5 mM | 0.475 ml | 2.373 ml | 4.746 ml |
10 mM | 0.237 ml | 1.186 ml | 2.373 ml |
5 mM | 0.047 ml | 0.237 ml | 0.475 ml |
biological activity | Ro 61-8048 is a KMO inhibitor with an IC50 of 37 nM, ki was 4.8 nM. |
Target | Value |
KMO (Cell-free assay) | 4.8 nM(Ki) 37 nM |