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2581113-51-9

2581113-51-9 Structure

2581113-51-9 Structure
IdentificationBack Directory
[Name]

2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-2-cyano-, phenylmethyl ester, (2E,4E)-
[CAS]

2581113-51-9
[Synonyms]

hMAO-B-IN-3
2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-2-cyano-, phenylmethyl ester, (2E,4E)-
[Molecular Formula]

C20H15NO4
[MOL File]

2581113-51-9.mol
[Molecular Weight]

333.34
Chemical PropertiesBack Directory
[Boiling point ]

536.5±50.0 °C(Predicted)
[density ]

1.289±0.06 g/cm3(Predicted)
Hazard InformationBack Directory
[Uses]

hMAO-B-IN-3 (Compound 15) is a potent inhibitor of hMAO-B with an IC50 of 47.4 nM. hMAO-B-IN-3 is playing favourable agent-like properties and a broad safety window. hMAO-B-IN-3 is thus a suitable candidate for lead optimization and the development of multitarget-directed ligands[1].
[References]

[1] Chavarria D, et al. Design of novel monoamine oxidase-B inhibitors based on piperine scaffold: Structure-activity-toxicity, drug-likeness and efflux transport studies. Eur J Med Chem. 2020 Jan 1;185:111770. DOI:10.1016/j.ejmech.2019.111770
2581113-51-9 suppliers list
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