3-Ketolithocholic acid
3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid) is a secondary metabolite produced during the metabolism of bile acids, which is generated by the oxidation and modification of primary bile acids through intestinal flora or liver enzyme systems. Studies have found that 3-Oxo-5β-cholanoic acid can exert immunomodulatory effects by directly binding to the nuclear transcription factor RORγt (retinoic acid-related orphan receptor γt), and its dissociation constant (Kd) is 1.13 μM. It can specifically inhibit the differentiation of TH17 cells and the secretion of cytokines (such as IL-17). This inhibitory effect may be achieved by interfering with the binding of RORγt to DNA response elements or by influencing its interaction with co-activators. As a cross-molecule of bile acid metabolic networks and immune regulation, it may play a potential role in autoimmune diseases (such as multiple sclerosis and enteritis) by regulating TH17 cell-mediated inflammatory responses.
| Physical Appearance | A solid |
| Storage | Store at -20°C for 3 years. |
| M.Wt | 374.56 |
| Cas No. | 1553-56-6 |
| Formula | C24H38O3 |
| Solubility | ≥52.7 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O |
| Chemical Name | (R)-4-((5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| SDF | Download SDF |
| Canonical SMILES | [H][C@@]12CC(CC[C@]1(C)[C@]3([H])[C@@]([C@@](CC[C@@H]4[C@@H](CCC(O)=O)C)([H])[C@]4(C)CC3)([H])CC2)=O |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |
Quality Control & MSDS
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Chemical structure
