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18110-87-7

18110-87-7 structure
18110-87-7 structure
  • Name: 4,5-Dimethoxycanthin-6-one
  • Chemical Name: 4,5-Dimethoxycanthin-6-one
  • CAS Number: 18110-87-7
  • Molecular Formula: C16H12N2O3
  • Molecular Weight: 280.278
  • Catalog: Natural product Alkaloid
  • Create Date: 2017-10-09 17:22:47
  • Modify Date: 2025-08-24 22:24:20
  • 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
Synonyms Nigakinon-methylether
Methyl nigakinone
4,5-Dimethoxy-canthin-6-on
4,5-Dimethoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 4,5-dimethoxy-
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4,5-dimethoxy-
4,5-dimethoxy-6H-indolo[3,2,1-de]-1,5-naphthyridin-6-one
4,5-Dimethoxy-6-oxo-6H-indolo<3.2.1-de><1.5>naphthyridin
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
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
Hazard Codes Xi
186581-53-3 structure

186581-53-3

18110-86-6 structure

18110-86-6

~%

18110-87-7 structure

18110-87-7

Literature: Ohmoto, Taichi; Koike, Kazuo Chemical & Pharmaceutical Bulletin, 1984 , vol. 32, # 9 p. 3579 - 3583
186581-53-3 structure

186581-53-3

101219-61-8 structure

101219-61-8

~%

18110-87-7 structure

18110-87-7

Literature: Ohmoto; Koike Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 11 p. 4901 - 4905
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