Taurolithocholic Acid 3-sulfate (sodium salt)
Taurolithocholic Acid 3-sulfate (sodium salt) (CAS No.: 64936-83-0) is a sulfated bile acid metabolite derived from taurolithocholic acid and represents a specialized endogenous regulator within bile acid metabolism and transport pathways. This small molecule is widely utilized in biomedical research to investigate bile acid homeostasis, particularly through its modulation of intracellular bile acid transport processes and its role in hepatobiliary and inflammatory disease models. It functions as an agonist of the G protein-coupled receptor GPR39, activating receptor-mediated intracellular calcium signaling in a manner that is enhanced in the presence of zinc ions, with activity observed in the low micromolar range. Mechanistically, its signaling effects appear to be independent of classical zinc-binding residues, suggesting a distinct mode of receptor activation. Taurolithocholic Acid 3-sulfate (sodium salt) has been employed in cell-based systems to study bile acid transport dynamics and receptor signaling, as well as in vivo in bile acid infusion-induced pancreatitis models to elucidate inflammatory and metabolic responses. It is particularly relevant for studies of gallbladder dysfunction, bile acid-related disorders, and GPR39-targeted drug discovery. Experimental concentrations and dosing regimens vary depending on the specific cellular or animal model and the biological endpoints under investigation.
| Physical Appearance | A solid |
| Storage | -20°C |
| M.Wt | 607.73 |
| Cas No. | 64936-83-0 |
| Formula | C26H43NNa2O8S2 |
| Synonyms | 3-Sulfotaurolithocholic acid; 3S-TLCA; TLCA3S; TLC-S |
| Solubility | ≥26.35 mg/mL in DMSO; ≥3.8 mg/mL in EtOH with ultrasonic; ≥53.1 mg/mL in H2O |
| Chemical Name | sodium (3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-5-oxo-5-((2-sulfonatoethyl)amino)pentan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate |
| Canonical SMILES | O=C(CC[C@H]([C@]1(CC[C@]2([C@@]3(CC[C@@]4(C[C@@H](CC[C@@]4([C@]3(CC[C@@]21C)[H])C)OS([O-])(=O)=O)[H])[H])[H])[H])C)NCCS([O-])(=O)=O.[Na+].[Na+] |
| 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. |







