4,5-Dimethoxycanthin-6-one

Modify Date: 2024-01-02 11:25:00

4,5-Dimethoxycanthin-6-one structure	Common Name	4,5-Dimethoxycanthin-6-one
	CAS Number	18110-87-7	Molecular Weight	280.278
	Density	1.4±0.1 g/cm3	Boiling Point	455.1±45.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₂N₂O₃	Melting Point	145-146 °C
	MSDS	N/A	Flash Point	229.0±28.7 °C

Use of 4,5-Dimethoxycanthin-6-one

4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].

Name	4,5-Dimethoxycanthin-6-one
Synonym	More Synonyms

Description	4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Metabolic Disease
Target	CYP1A2:1.7 μM (IC50) CYP1A2:2.6 μM (Ki)
In Vitro	4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM[2].
References	[1]. Taichi O, et al. Studies on the Constituents of Picrasma quassioides BENNET. III. The Alkaloidal Constituents [2]. Miao X,et al. In vitro metabolism of 4, 5-dimethoxycanthin-6-one by human liver microsomes and its inhibition on human CYP1A2. Life Sci. 2017;190:46-51.

Density	1.4±0.1 g/cm3
Boiling Point	455.1±45.0 °C at 760 mmHg
Melting Point	145-146 °C
Molecular Formula	C₁₆H₁₂N₂O₃
Molecular Weight	280.278
Flash Point	229.0±28.7 °C
Exact Mass	280.084778
PSA	52.83000
LogP	2.16
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.688