Introduction：Basic information about CAS 6035-49-0|6,7,8-Trimethoxycoumarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6,7,8-Trimethoxycoumarin |
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| CAS Number | 6035-49-0 | Molecular Weight | 236.221 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 408.0±45.0 °C at 760 mmHg |
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| Molecular Formula | C12H12O5 | Melting Point | 104-105ºC |
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| MSDS | / | Flash Point | 184.3±28.8 °C |
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Names
| Name | Dimethylfraxetin |
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| Synonym | More Synonyms |
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6,7,8-Trimethoxycoumarin BiologicalActivity
| Description | Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Carbonic AnhydraseResearch Areas >>CancerNatural Products >>Phenylpropanoids |
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| Target | Ki: 0.0097 μM (Carbonic anhydrase)[1] |
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| In Vitro | At CA I there is one stand out compound being Dimethylfraxetin (compound 17), a nanomolar CA I inhibitor. This trimethoxy coumarin is the most potent of any of the NP coumarins across the six CA isozymes of the present study[1]. |
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| Kinase Assay | Inhibitor (including Dimethylfraxetin) and enzyme solutions are preincubated together for 6 h at room temperature prior to assay, in order to allow for the formation of the enzyme-inhibitor complex[1]. |
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| References | [1]. Davis RA, et al. Natural product coumarins that inhibit human carbonic anhydrases. Bioorg Med Chem. 2013 Mar 15;21(6):1539-43. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 408.0±45.0 °C at 760 mmHg |
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| Melting Point | 104-105ºC |
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| Molecular Formula | C12H12O5 |
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| Molecular Weight | 236.221 |
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| Flash Point | 184.3±28.8 °C |
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| Exact Mass | 236.068466 |
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| PSA | 57.90000 |
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| LogP | 1.75 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.545 |
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| InChIKey | RAYQKHLZHPFYEJ-UHFFFAOYSA-N |
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| SMILES | COc1cc2ccc(=O)oc2c(OC)c1OC |
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| Storage condition | -20°C |
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Safety Information
| Risk Phrases | 22 |
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| Safety Phrases | 22-45 |
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| HS Code | 2932209090 |
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Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 6,7,8-trimethoxychromen-2-one |
| 6,7,8-Trimethoxy-2H-chromen-2-one |
| 2H-1-Benzopyran-2-one, 6,7,8-trimethoxy- |
