CAS 486-60-2|Bergaptol
Introduction：Basic information about CAS 486-60-2|Bergaptol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bergaptol | ||
|---|---|---|---|
| CAS Number | 486-60-2 | Molecular Weight | 202.163 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 311.9±11.0 °C at 760 mmHg |
| Molecular Formula | C11H6O4 | Melting Point | 287-290ºC |
| MSDS | ChineseUSA | Flash Point | 142.4±19.3 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | bergaptol |
|---|---|
| Synonym | More Synonyms |
Bergaptol BiologicalActivity
| Description | BergaptolA hydroxylated psoralen that acts as a potent inhibitors of debenzylation activity of CYP3A4 enzyme with an IC50 value of 24.92 uM. Recent studies suggest that it may have antiproliferative and anticancer properties.target: CYP3A4 [1]IC50: 24.92 [1]For in vivo enzyme activity analysis, 100 μM bergaptol was added to the cultures for an additional 24 h at 37°C. After centrifugation, the supernatant was used to measure the bergapten yield by high performance liquid chromatography (HPLC).[2] |
|---|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Natural Products >>PhenylpropanoidsResearch Areas >>Cancer |
| References | [1]. Basavaraj Girennavar et al. Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit. Bioorganic & Medicinal Chemistry.June 2007, Pages 3684-3691 [2]. Yucheng Zhao et al. Cloning, Functional Characterization, and Catalytic Mechanism of a Bergaptol O-Methyltransferase from Peucedanum praeruptorum Dunn. Front Plant Sci, 2016, 7: 722. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 311.9±11.0 °C at 760 mmHg |
| Melting Point | 287-290ºC |
| Molecular Formula | C11H6O4 |
| Molecular Weight | 202.163 |
| Flash Point | 142.4±19.3 °C |
| Exact Mass | 202.026611 |
| PSA | 63.58000 |
| LogP | 0.93 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.711 |
| InChIKey | GIJHDGJRTUSBJR-UHFFFAOYSA-N |
| SMILES | O=c1ccc2c(O)c3ccoc3cc2o1 |
| Storage condition | 2-8°C |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Phrases | 22-36 |
| Safety Phrases | 22-24/25 |
| RIDADR | NONH for all modes of transport |
Articles1
More Articles| Application of the equivalency factor concept to the phototoxicity and –genotoxicity of furocoumarin mixtures Food Chem. Toxicol. 68 , 257-66, (2014) • The photo-cytotoxic, -mutagenic, and -clastogenic properties in V79 cells of thirteen furocoumarins (FCs), were analyzed. • Nine FC mixtures including one mixture ‘representing’ FCs in Angelica arch... |
Synonyms
| 4-hydroxyfuranocoumarin |
| 5-Hydroxypsoralen |
| 4-hydroxyfuro[3,2-g]chromen-7-one |
| 4-Hydroxy7H-furo[3,2-g][1]benzopyran-7-one,4-Hydroxybergapten,5-Hydroxy-6,7-furanocoumarin |
| xanthotoxol |
| 5-Hydroxyfuranocoumarin |
| 7H-Furo[3,2-g][1]benzopyran-7-one, 4-hydroxy- |
| Psoralin,5-hydroxy |
| 4-Hydroxy-7H-furo[3,2-g]chromen-7-one |
| Bergaptol |
| 9-hydroxyfuranocoumarin |
