64936-81-8
Chemical Structure
Lithocholic acid 3-sulfate disodium
Synonym(s): Sulfolithocholic acid disodium; LCAS disodium
- CAS. Nr.: 64936-81-8
- Formula:C24H38Na2O6S
- Molecular Weight:500.60
IUPAC Name: sodium (R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(sulfonatooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
InChIKey: KFMFANFNCYFOLB-WLYWKNFRSA-L
SMILES: 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
Biological Activity: 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].
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Lithocholic acid 3-sulfate disodium | 99.93% | 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. | ||||||||||||||||||||
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Lithocholic acid 3-sulfate-d4 disodium | Lithocholic acid 3-sulfate-d4 (disodium) is the deuterium labeled Lithocholic acid 3-sulfate disodium. | |||||||||||||||||||||
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References
- [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]
