| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
3-Oxocholic acid does not have a specific pharmacological target, as it is an endogenous bile acid metabolite. Bile acids and their metabolites, including 3-oxocholic acid, interact with various receptors and transporters involved in lipid metabolism and energy homeostasis. They are ligands for the farnesoid X receptor (FXR) and the G protein-coupled bile acid receptor (TGR5), which regulate bile acid synthesis, glucose metabolism, and inflammation. 3-Oxocholic acid may also interact with other nuclear receptors and transporters, but its specific binding affinities and activities have not been extensively characterized.
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| ln Vitro |
3-Oxocholic acid does not possess significant pharmacological activity as it is an endogenous metabolite rather than a drug candidate. Its in vitro activity is related to its role as a bile acid metabolite that may modulate the activity of bile acid receptors such as FXR and TGR5. Studies on 3-oxocholic acid typically involve measuring its effects on receptor activation or its role as a biomarker for bile acid metabolism. The compound is also used as a reference standard in analytical chemistry for the identification and quantification of bile acids in biological samples.
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| ln Vivo |
Ileal transposition (IT) surgery is performed on male Goto-Kakizaki (GK) rats. The metabolomics research shows that the IT rats have higher 3-Oxocholic acid than the Sham-IT animals[2].
In vivo activity of 3-oxocholic acid is related to its role as an endogenous bile acid metabolite. Bile acids and their metabolites are involved in the regulation of lipid metabolism, glucose homeostasis, and inflammation. 3-Oxocholic acid is found in blood, feces, and urine, indicating that it is produced and excreted as part of normal bile acid metabolism. Its levels may be altered in various disease states, such as liver disease or metabolic disorders, making it a potential biomarker for these conditions. However, the specific in vivo effects of 3-oxocholic acid have not been extensively studied. |
| Enzyme Assay |
In vitro enzyme/receptor binding experiments for 3-oxocholic acid are not typical, as it is an endogenous metabolite rather than a pharmacologically active compound. However, studies may involve measuring its ability to activate bile acid receptors such as FXR or TGR5 in cell-based reporter assays. The compound can also be used as a reference standard in analytical chemistry for the identification and quantification of bile acids in biological samples using techniques such as HPLC or mass spectrometry. Its chemical properties, including its keto and hydroxyl groups, are characterized using standard analytical methods.
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| Cell Assay |
In vitro cellular experiments for 3-oxocholic acid typically involve studying its effects on cells that express bile acid receptors, such as hepatocytes or intestinal cells. Cells are treated with the compound, and the activation of FXR or TGR5 is measured using reporter gene assays or by monitoring downstream signaling pathways. The compound can also be used to study its effects on bile acid transport and metabolism in cellular models. Cytotoxicity is assessed in parallel to ensure that the compound does not adversely affect cell viability at the concentrations used.
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| Animal Protocol |
In vivo animal experiments for 3-oxocholic acid are not typical, as it is an endogenous metabolite rather than a drug candidate. However, studies may involve administering the compound to animals to study its effects on bile acid metabolism or to validate its use as a biomarker. Blood, feces, and urine samples are collected to measure the levels of 3-oxocholic acid and other bile acids. The compound's role in regulating lipid metabolism and energy homeostasis may also be studied in animal models of metabolic disease.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-oxocholic acid are related to its role as an endogenous bile acid metabolite. Bile acids are synthesized in the liver, secreted into the bile, and reabsorbed in the intestine through enterohepatic circulation. 3-Oxocholic acid is found in blood, feces, and urine, indicating that it is produced and excreted as part of normal bile acid metabolism. Its levels may be influenced by factors such as diet, liver function, and gut microbiota. Detailed pharmacokinetic studies of 3-oxocholic acid as a drug candidate have not been performed.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-oxocholic acid are limited, as it is an endogenous metabolite rather than a drug candidate. Bile acids can be cytotoxic at high concentrations, but the toxicity of 3-oxocholic acid specifically has not been extensively characterized. Standard safety precautions for handling organic chemicals apply, including the use of personal protective equipment and working in a well-ventilated area. The compound is not intended for human consumption, and its toxicity profile has not been extensively characterized.
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| References |
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| Additional Infomation |
7α,12α-Dihydroxy-3-oxo-5β-cholan-24-acid is a 3-oxosteroid, a derivative of bile acid, in which the hydroxyl group at position 3 is oxidized to the corresponding ketone. It is a human metabolite. It is a bile acid, a 12α-hydroxysteroid, a dihydroxy-5β-cholan acid, a 7α-hydroxysteroid, and a 3-oxo-5β-steroid. It is the conjugate acid of 7α,12α-dihydroxy-3-oxo-5β-cholan-24-acid.
3-Oxocholic acid is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is an endogenous bile acid metabolite that is used as a reference standard in analytical chemistry for the identification and quantification of bile acids in biological samples. The compound is also used in research to study bile acid metabolism and its role in various disease states, such as liver disease and metabolic disorders. Its levels may serve as a biomarker for these conditions. Further research is needed to fully elucidate its biological functions and potential therapeutic applications. |
| Molecular Formula |
C₂₄H₃₈O₅
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|---|---|
| Molecular Weight |
406.56
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| Exact Mass |
406.272
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| CAS # |
2304-89-4
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| PubChem CID |
5283956
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| Appearance |
White to off-white solid powder
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| Density |
1.180±0.06g/ml(Predicted)
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| Boiling Point |
583.0±50.0℃(Predicted)
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| Melting Point |
185℃
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| Vapour Pressure |
5.08E-16mmHg at 25°C
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| LogP |
3.656
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
676
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C
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| InChi Key |
OEKUSRBIIZNLHZ-DJDNIQJZSA-N
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| InChi Code |
InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
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| Chemical Name |
(4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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| Synonyms |
3Oxocholic acid 3 Oxocholic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~245.97 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4597 mL | 12.2983 mL | 24.5966 mL | |
| 5 mM | 0.4919 mL | 2.4597 mL | 4.9193 mL | |
| 10 mM | 0.2460 mL | 1.2298 mL | 2.4597 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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