Name: PKM2-IN-3
Rating: 5 (10 reviews)

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HIT ID:HIT214323428
Cas No:2408841-19-8
常用名:PKM2-IN-3
别名:PKM2-IN-3
IUPAC:(4E)-4-[(4-ethylphenyl)methylidene]-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-one
IUPAC:(4E)-4-[(4-ethylphenyl)methylidene]-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-one
InChI key:BQNYBXFXLMWECE-LFIBNONCSA-N

分子式:C21H22O4
分子量:338.403
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1ccc(\C=C2/CCOc3cc(OC)cc(OC)c3C2=O)cc1
SMILES:CCc1ccc(\C=C2/CCOc3cc(OC)cc(OC)c3C2=O)cc1

PKM2-IN-3 is a potent PKM2 kinase inhibitor, displaying an IC 50 value of 4.1 μM. The compound effectively suppresses PKM2-mediated glycolysis and NLRP3 activation, thereby exerting an anti-neuroinflammatory effect.

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