A metabolite of glycochenodeoxycholic acid
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Glycochenodeoxycholic Acid 3-sulfate (sodium salt)

Item No. 45839

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[(3α,5β,7α)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-glycine, disodium salt
CAS Number
66874-09-7
Synonyms
  • GCDCA-S
  • Glycochenodeoxycholic Acid 3-O-sulfate
Molecular Formula
C26H41NO8S • 2Na
Formula Weight
573.7
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Sparingly soluble: 1-10 mg/mlMethanol: Slightly soluble: 0.1-1 mg/mlWater: Slightly soluble: 0.1-1 mg/ml
SMILES
O[C@H]1[C@]2([H])[C@@](CC[C@]3([C@@]2([H])CC[C@]3([H])[C@@H](CCC(NCC([O-])=O)=O)C)C)([H])[C@@]4([C@](C[C@@H](CC4)OS(=O)([O-])=O)([H])C1)C.[Na+].[Na+]
InChi Code
InChI=1S/C26H43NO8S.2Na/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28;;/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;;/m1../s1
InChi Key
MJXWPLXHDUSUKI-KZRRTRIISA-L
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    500 µg

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    1 mg

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    Product Description

    Glycochenodeoxycholic acid 3-sulfate (GCDCA-S) is a metabolite of glycochenodeoxycholic acid (Item Nos. 16942 | 44904), the glycine-conjugated form of the primary bile acid chenodeoxycholic acid (Item Nos. 10011286 | 35346 | 44867).1,2 It is formed from glycochenodeoxycholic acid by sulfonation via sulfotransferase 2A1 (SULT2A1). GCDCA-S is a substrate of organic anion transporting polypeptide 1B1 (OATP1B1), OATP1B3 and organic anion transporter (OAT3), and GCDCA-S uptake is inhibited by the OATP1B1/3 inhibitor rifampicin (Item No. 14423) in primary human hepatocytes.3

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Alnouti, Y. Bile acid sulfation: A pathway of bile acid elimination and detoxification. Toxicol. Sci. 108(2), 225-246 (2009).

    2. Ujihira, Y., Georgiev, V., Ogungbenro, K., et al. Population pharmacokinetic modeling of glycochenodeoxycholic acid 3-O-sulfate (GCDCA-S) as endogenous biomarker of OATP1B3 and OAT3 transporters. Clin. Pharmacol. Ther. 118(6), 1532-1542 (2025).

    3. Orozco, C.C., Neuvonen, M., Bi, Y.-A., et al. Characterization of bile acid sulfate conjugates as substrates of human organic anion transporting polypeptides. Mol. Pharm. 20(6), 3020-3032 (2023).