3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid
7-KETOLITHOCHOLIC ACID
CAS: 4651-67-6
Molecular Formula: C24H38O4
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid - Names and Identifiers
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid - Physico-chemical Properties
| Molecular Formula | C24H38O4 |
| Molar Mass | 390.56 |
| Density | 1.124±0.06 g/cm3(Predicted) |
| Melting Point | 205°C |
| Boling Point | 545.9±25.0 °C(Predicted) |
| Water Solubility | 2.062mg/L at 25℃ |
| Solubility | Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | 4.76±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| In vitro study | Bile acids are main components of mammalian bile. They are steroid carboxylic acids that synthesized from cholesterol in liver tissue. |
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid - Risk and Safety
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid - Reference Information
| LogP | 3.48 at 20℃ |
| Use | 3 A- hydroxy-7-oxo-5 B- cholanoic acid is a derivative of lithocholic acid, which is a cholic acid derivative as a TGR5 regulator. |
| Application | 3-hydroxy-7-oxo-5-cholanoic acid is an intermediate in organic synthesis and pharmaceutical research and development, and is a choleretic drug ursodeoxycholic acid Synthesis of intermediates. |
| preparation | chenodeoxycholic acid can obtain high purity 3a hydroxy -7 oxo-5 β-cholanoic acid through sodium hypochlorite oxidation. the reaction temperature is controlled at -15°C, acetic acid is used to adjust acidity methanol as solvent, and 3a hydroxy -7-oxo-5 β-cholanoic acid crude product is prepared. The crude product is made into barium salt, then the barium is removed, and finally recrystallized with methanol and water to obtain high-purity 3a-hydroxy-7-oxo-5 β-cholane. |
| Biological activity | 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid) is a bile acid that can be absorbed and inhibit the production of endogenous bile acids and bile cholesterol secretion. |
Last Update：2024-04-09 21:11:58
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