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849909-77-9

849909-77-9 Structure

849909-77-9 Structure
IdentificationBack Directory
[Name]

2-Pyrrolidinecarboxamide, 1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-, (2S)-
[CAS]

849909-77-9
[Synonyms]

MAO-B-IN-5
MAO B IN 5,MAOBIN5
2-Pyrrolidinecarboxamide, 1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-, (2S)-
[Molecular Formula]

C19H21FN2O2
[MOL File]

849909-77-9.mol
[Molecular Weight]

328.38
Chemical PropertiesBack Directory
[Boiling point ]

509.2±50.0 °C(Predicted)
[density ]

1.237±0.06 g/cm3(Predicted)
[pka]

16.07±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

MAO-B-IN-5 is a potent, selective and orally active MAO-B inhibitor with an IC50 of 0.204 μM. MAO-B-IN-5 has the potential for the research of Parkinson's disease (PD)[1].
[in vivo]

MAO-B-IN-5 (1 mg/kg, i.v.; 5 mg/kg, p.o.) shows oral bioavailability in rats (F=13.6%)[1].
Pharmacokinetic Parameters of MAO-B-IN-5 in SD rats[1].

CompoundRouteDose (mg/kg)Cmax (ng/mL)AUCt (ng·h/mL)T1/2 (h)Vss (h)Cl (mL/min/kg)F (%)
D0iv18093470.371.1147.1/
po51632841.27//16.3
SD rats; 1 mg/kg, i.v.; 5 mg/kg, p.o.[1].
Animal Model:SD rats[1]
Dosage:1, 5 mg/kg
Administration:1 mg/kg, i.v.; 5 mg/kg, p.o.
Result:Showed oral bioavailability in rats (F=16.3%).
[IC 50]

MAO-B: 34.190 μM (IC50); MAO-A: 0.204 μM (IC50)
[References]

[1] Wang Z,et al. Enhancing monoamine oxidase B inhibitory activity via chiral fluorination: Structure-activity relationship, biological evaluation, and molecular docking study. Eur J Med Chem. 2022; 228:114025. DOI:10.1016/j.ejmech.2021.114025
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pyrrolidinecarboxamide, 1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-, (2S)-(849909-77-9)1HNMR
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