2408841-19-8

Name	1-Benzoxepin-5(2H)-one, 4-[(4-ethylphenyl)methylene]-3,4-dihydro-6,8-dimethoxy-, (4E)-
CAS	2408841-19-8
Molecular Formula	C21H22O4
Molecular Weight	338.4
MOL File	2408841-19-8.mol

Synonyms

PKM2-IN-3 1-Benzoxepin-5(2H)-one, 4-[(4-ethylphenyl)methylene]-3,4-dihydro-6,8-dimethoxy-, (4E)-

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Chemical Properties

Boiling point	529.2±50.0 °C(Predicted)
density	1.166±0.06 g/cm3(Predicted)
form	Solid
color	Off-white to light yellow

Hazard Information

Uses

PKM2-IN-3 is an inhibitor of PKM2 kinase with an IC50 value of 4.1 μM. PKM2-IN-3 exhibits an anti-neuroinflammatory effect by inhibiting PKM2-mediated glycolysis and NLRP3 activation[1].

in vivo

PKM2-IN-3 (1, 10 mg/kg; i.p.; daily for 3 days ) significantly reverses the LPS-induced mice behavior changes in open field test^[1].
PKM2-IN-3 (1, 10 mg/kg; i.v.; injected at 4 hours and 24 hours after ischemia onset) reduces the infarct volume and improves neurological deficits of tMCAO rats^[1].

Animal Model:	LPS-induced mice (male 6-8 weeks old; 20.0-22.0 g)^[1]
Dosage:	1, 10 mg/kg
Administration:	i.p.; daily for 3 days
Result:	Reversed the LPS-induced mice behavior changes in open field test.

Animal Model:	tMCAO Sprague-Dawley rats (Male 8-10 weeks old; 250.0-280.0 g)^[1]
Dosage:	1, 10 mg/kg
Administration:	i.v.; injected at 4 hours and 24 hours after ischemia onset
Result:	Reduced the infarct volume and improved neurological deficits of tMCAO rats.

IC 50

PKM2: 4.1 μM (IC₅₀)

References

[1] Gao CL, et al. Synthesis and Target Identification of Benzoxepane Derivatives as Potential Anti-Neuroinflammatory Agents for Ischemic Stroke. Angew Chem Int Ed Engl. 2020;59(6):2429-2439. DOI:10.1002/anie.201912489

Supplier

Shanghai Beckham Medical Technology Co., Ltd

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Changzhou Xuanye Technology Co., Ltd

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Yantai Boyun Biological Technology Co. Ltd

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TargetMol Chemicals Inc.

Telephone 15002134094

Websitehttps://www.targetmol.cn/

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