Lithocholic acid 3-sulfate disodium  (Synonyms: Sulfolithocholic acid disodium; LCAS disodium)

Lithocholic acid 3-sulfate disodium is a GPR39 agonist, with EC₅₀ values of 41 μM and 42.4 μM in M39-20 and hGPR39-2 cells, respectively, in the absence of Zn²⁺, and 0.88 μM and 0.97 μM in the presence of Zn²⁺. Lithocholic acid 3-sulfate disodium acts as a RORγt ligand. Lithocholic acid 3-sulfate disodium stimulates the GPR39 receptor to initiate intracellular calcium signaling, independent of the Zn²⁺-binding sites H17 and H19. LCA-3-S selectively inhibits Th17 cell differentiation by targeting RORγt. Lithocholic acid 3-sulfate disodium can be used in the research of cholestatic liver diseases^[1][2].

Lithocholic acid 3-sulfate disodium binds to the purified human RORγt LBD with a K_d value of 1.7×10^-4[1].
Lithocholic acid 3-sulfate disodium is a GPR39 agonist, with EC₅₀ values of 41 μM and 42.4 μM in M39-20 and hGPR39-2 cells (in the absence of Zn²⁺), and 0.88 μM and 0.97 μM (in the presence of Zn²⁺)^[2].
Lithocholic acid 3-sulfate disodium activates intracellular calcium signaling induced by mutant (H17A and H19A) GPR39 in 293T cells, with an EC₅₀ value of 24 μM^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

500.60

C₂₄H₃₈Na₂O₆S

64936-81-8

Solid

White to off-white

C[C@]1(CC2)[C@](CC[C@]1([H])[C@H](C)CCC(O[Na])=O)([H])[C@@](CC[C@]3([H])C[C@@H]4O[S](=O)(O[Na])=O)([H])[C@@]2([H])[C@]3(CC4)C

Room temperature in continental US; may vary elsewhere.

-20°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

• [1]. Zi, Zhentao, et al. Use of bile acids and derivatives thereof in preparation of GPR39 agonist. WO2021083336A1.

  [2]. Xiao R, et al. Synthesis and identification of lithocholic acid 3-sulfate as RORγt ligand to inhibit Th17 cell differentiation. J Leukoc Biol. 2022 Oct;112(4):835-843.  [Content Brief]