COMT-IN-1

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].

Product Specifications

CAS Number

[2987884-27-3]

UNSPSC

12352211

Target

COMT; Monoamine Oxidase

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease; Neuronal Signaling

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/comt-in-1.html

Smiles

OC1=C([N+]([O-])=O)C=C(/C=C(C(NCC2=CC=C(OCC3=CC=CC(F)=C3)C=C2)=O)\C#N)C=C1O

Molecular Formula

C24H18FN3O6

Molecular Weight

463.41

References & Citations

[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.