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Obeticholic Acid [459789-99-2]

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Referência NB-64-08482-25mg

Tamanho : 25mg

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Marca : Neo Biotech

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Obeticholic Acid

(Synonyms: INT-747, 6-Ethylchenodeoxycholic acid, 6-ECDCA) Copy Product Info

Synonyms: INT-747, 6-Ethylchenodeoxycholic acid, 6-ECDCA

Catalog No. T1789 Copy Product Info

Purity: 99.97%

Obeticholic Acid (6-ECDCA, INT-747) is a high-affinity, semisynthetic, bile acid-derived FXR agonist with an EC50 of 99 nM and is able to upregulate IκB-α, KLF-2, and KLF-4 expression. Obeticholic Acid (6-ECDCA, INT-747) also shows potential for treating hepatic steatosis, inflammation, and fibrosis while increasing insulin sensitivity.

Cas No. 459789-99-2

For research use only—not for human use. No sales to individuals. Use as intended only.

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Purity:99.97%

Color:White to Yellow

Product Introduction

Obeticholic Acid AI Summary

Obeticholic Acid exhibits significant bioactivity as an agonist of the Farnesoid X Receptor (FXR) with an EC50 value of 99.0 nM, as determined by various assay platforms including FRET-based co-activator assays and cell-based bioluminescence assays. It also shows high efficacy, with relative efficacy values ranging from 96.0% to 144.0% compared to controls. In addition to FXR, Obeticholic Acid displays agonist activity at the TGR5 receptor, demonstrating an EC50 value of 918.0 nM and an efficacy of 83.0%. Pharmacokinetic studies on db/db mice reveal that at a dosage of 25 mg/kg bid, the compound exhibits increasing plasma and liver concentrations over time, suggesting effective distribution and stability in vivo. Notably, Obeticholic Acid also shows antiviral activity against SARS-CoV-2, with significant inhibition in Caco-2 cells and HRCE cells. Furthermore, Obeticholic Acid is involved in modulating gene expression in human HepG2 cells, leading to the upregulation of mRNA for BSEP, SHP, and FGF19, and it exhibits partial inhibition of NF-kappaB mRNA. Its intrinsic clearance in mouse liver microsomes indicates metabolic stability, while its varied EC50 values across different assays suggest selective bioactivity profiles at FXR and TGR5..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	Obeticholic Acid (6-ECDCA, INT-747) is a high-affinity, semisynthetic, bile acid-derived FXR agonist with an EC50 of 99 nM and is able to upregulate IκB-α, KLF-2, and KLF-4 expression. Obeticholic Acid (6-ECDCA, INT-747) also shows potential for treating hepatic steatosis, inflammation, and fibrosis while increasing insulin sensitivity.
Targets & IC50	FXR:99 nM(EC50)
In vitro	METHODS: SCC cells were treated with increasing concentrations of obeticholic acid (6-ECDCA, INT-747) (0-100 μM), hepatocytes and HSCs were seeded at the same density and treated with obeticholic acid (6-ECDCA, INT-747) (0.1, 1 and 10 μM), and finally MTT assay was performed. RESULTS Obeticholic acid (6-ECDCA, INT-747) reduced cell viability by more than 20% at a concentration of 10 μM. [4]
In vivo	METHODS: Thioacetamide (TAA)-intoxicated and bile duct ligation (BDL) rats were used as models. Two oral doses of 30 mg/kg obeticholic acid (INT-747) were administered within 24 hours to evaluate in vivo hemodynamics. The effects of short-term obeticholic acid (INT-747) treatment on intrahepatic hemodynamic dysfunction and signaling pathways in different rat models of cirrhotic portal hypertension (PHT) were investigated. RESULTS FXR expression was decreased in both cirrhotic models. Obeticholic acid (INT-747) administration in TAA and BDL reactivated FXR downstream signaling pathways and reduced portal pressure by reducing total IHVR without causing harmful systemic hypotension. Obeticholic acid (INT-747) improved endothelial vasodilation but not hyperresponsiveness in perfused TAA and BDL cirrhotics. [1] METHODS: Animals were fed a low-salt (control) or high-salt diet and treated with obeticholic acid (6-ECDCA, INT-747) (10, 30 mg/kg/day, oral, 6 weeks). Liver lysates were compared for c-JNK1 and 2 expression by Western blot. RESULTS INT-747 reduced hepatic JNK-1 and JNK-2 expression; proinflammatory proteins may be upregulated by a high-salt diet, thereby interfering with normal insulin signaling. [3]
Synonyms	INT-747, 6-Ethylchenodeoxycholic acid, 6-ECDCA

Chemical Properties

Molecular Weight	420.63
Formula	C₂₆H₄₄O₄
Cas No.	459789-99-2
Smiles	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Relative Density.	1.091

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

H2O: < 1 mg/mL (insoluble or slightly soluble)

DMSO: 237.5 mg/mL (564.63 mM), Sonication is recommended.

Ethanol: 78 mg/mL (185.44 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 5 mg/mL (11.89 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

Ethanol/DMSO

	1mg	5mg	10mg	50mg
1 mM	2.3774 mL	11.8869 mL	23.7739 mL	118.8693 mL
5 mM	0.4755 mL	2.3774 mL	4.7548 mL	23.7739 mL
10 mM	0.2377 mL	1.1887 mL	2.3774 mL	11.8869 mL
20 mM	0.1189 mL	0.5943 mL	1.1887 mL	5.9435 mL
50 mM	0.0475 mL	0.2377 mL	0.4755 mL	2.3774 mL
100 mM	0.0238 mL	0.1189 mL	0.2377 mL	1.1887 mL

Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density.

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, and a total of 10 animals are to be administered, using a formulation of 10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO stock solution to 400 µL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 µL Tween 80 and mix well until fully clarified.

3) Add 450 µL Saline,PBS or ddH₂O and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

Keywords

receptororallyObeticholic AcidNR1H4INT747INT 747InhibitorinhibitFXRfarnesoidAutophagyactive

Related Tags: Obeticholic Acid chemical structure | Obeticholic Acid in vivo | Obeticholic Acid in vitro | Obeticholic Acid formula | Obeticholic Acid molecular weight