Introduction：Basic information about CAS 18110-87-7|4,5-Dimethoxycanthin-6-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,5-Dimethoxycanthin-6-one |
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| CAS Number | 18110-87-7 | Molecular Weight | 280.278 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 455.1±45.0 °C at 760 mmHg |
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| Molecular Formula | C16H12N2O3 | Melting Point | 145-146 °C |
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| MSDS | / | Flash Point | 229.0±28.7 °C |
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Names
| Name | 4,5-Dimethoxycanthin-6-one |
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| Synonym | More Synonyms |
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4,5-Dimethoxycanthin-6-one BiologicalActivity
| 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]. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Metabolic Disease |
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| Target | CYP1A2:1.7 μM (IC50) CYP1A2:2.6 μM (Ki) |
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| 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]. |
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| 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. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 455.1±45.0 °C at 760 mmHg |
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| Melting Point | 145-146 °C |
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| Molecular Formula | C16H12N2O3 |
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| Molecular Weight | 280.278 |
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| Flash Point | 229.0±28.7 °C |
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| Exact Mass | 280.084778 |
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| PSA | 52.83000 |
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| LogP | 2.16 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.688 |
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| InChIKey | ATONBUGCNDSBBC-UHFFFAOYSA-N |
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| SMILES | COc1c(OC)c2nccc3c4ccccc4n(c1=O)c23 |
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Safety Information
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 |
