| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg | |||
| 1g | |||
| Other Sizes |
| Targets |
Allocholic acid does not have a single well-defined pharmacological target; it is a bile acid involved in metabolic and physiological processes. As a bile acid, it interacts with nuclear receptors such as FXR (farnesoid X receptor) and GPCRs like TGR5, which regulate bile acid synthesis, lipid metabolism, and glucose homeostasis. It is used as a research tool for studying bile acid metabolism, liver function, and cholesterol regulation. Its primary role is in enterohepatic circulation and lipid digestion.
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| ln Vitro |
Allocholic acid promotes the conversion of [24-14C]cholic acid to [24-14C]isodeoxycholic acid and induces rapid culture in C. scindens and C. hylemonae cultures [4].
In vitro, allocholic acid is used as a reference standard and research tool in biochemical assays. It is studied for its effects on bile acid metabolism, liver function, and cholesterol regulation. As a bile acid, it can activate nuclear receptors such as FXR and GPCRs like TGR5. Its activity is typically evaluated using cell-based reporter assays measuring receptor activation or by assessing its effects on gene expression in hepatocytes. However, specific potency data are not extensively reported in the available literature. |
| ln Vivo |
In gerbils, the primary acidic bile extraction product of cholestanol is allocholic acid, and vice versa [5].
In vivo, allocholic acid is a naturally occurring bile acid involved in enterohepatic circulation. It is a major component in bile from the river carpsucker. As a bile acid, it participates in lipid digestion and absorption. It is used in research studies investigating bile acid metabolism, liver function, and cholesterol regulation. However, specific in vivo efficacy data, including dosing regimens and animal models, are not extensively detailed in the available literature. The compound is primarily a research tool. |
| Enzyme Assay |
Cell-free assays for allocholic acid involve characterizing its chemical properties and using it as a reference standard in analytical chemistry. Its identity and purity are confirmed by HPLC, NMR, and mass spectrometry. It can be used as a standard in chromatographic methods for the analysis of bile acids in biological samples. Its solubility and physicochemical properties can be measured. The compound is typically stored as a solid at appropriate conditions.
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| Cell Assay |
In vitro cellular assays for allocholic acid typically involve treating hepatocytes or other cell types with the compound to study its effects on bile acid metabolism and receptor activation. Cells are treated with various concentrations of allocholic acid, and gene expression changes are measured by qPCR. Receptor activation is assessed using reporter gene assays. Cell viability is assessed to determine any cytotoxic effects. The compound is typically dissolved in DMSO or appropriate buffers and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for allocholic acid are conducted in models of bile acid metabolism and liver disease. The compound is administered via various routes including oral gavage or intravenous injection. Bile acid levels in serum, liver, and bile are measured. Liver function tests are performed. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. Standard protocols for studying bile acid metabolism would typically be employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of allocholic acid include a molecular weight of 408.57 g/mol and molecular formula C24H40O5. It has a melting point of 238-240 °C, density of 1.184±0.06 g/cm3, and solubility of 0.027 g/L in water. As a bile acid, it is involved in enterohepatic circulation. The compound is typically stored at appropriate conditions as a reference standard. Detailed ADME parameters are available from bile acid metabolism studies.
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| Toxicity/Toxicokinetics |
The toxicity profile of allocholic acid has not been extensively characterized in published literature. As a naturally occurring bile acid, it is generally considered to have a manageable safety profile at research doses. Bile acids can have dose-dependent effects on liver function and lipid metabolism. Standard safety precautions should be followed when handling this compound. It is intended for research use only and not for therapeutic applications.
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| References | |
| Additional Infomation |
Allocholic acid is an Allocholic acid with the structure 5α-cholan-24-acid, containing three α-hydroxy substituents at positions 3, 7, and 12. It is a marine metabolite, a rat metabolite, and a human metabolite. It is a C24 steroid, 3α-hydroxy steroid, 7α-hydroxy steroid, 12α-hydroxy steroid, and Allocholic acid. It is the conjugate acid of Allocholic acid salts. Allocholic acid has been reported and data are available in marine shrimp (Petromyzon marinus).
Allocholic acid is a naturally occurring secondary bile acid and a major component in carp bile. It has a molecular formula of C24H40O5 and molecular weight of 408.57 g/mol. Allocholic acid is used as a research tool for studying bile acid metabolism, liver function, and cholesterol regulation. It is not for therapeutic use. |
| Molecular Formula |
C₂₄H₄₀O₅
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|---|---|
| Molecular Weight |
408.57
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| Exact Mass |
408.288
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| CAS # |
2464-18-8
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| PubChem CID |
160636
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| Appearance |
White to light yellow solid powder
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| Density |
1.184g/cm3
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| Boiling Point |
583.9ºC at 760 mmHg
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| Melting Point |
250-251ºC
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| Flash Point |
321ºC
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| Vapour Pressure |
4.59E-16mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
3.448
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| Hydrogen Bond Donor Count |
4
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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 |
637
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| Defined Atom Stereocenter Count |
11
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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(CC[C@H](C4)O)C)O)O)C
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| InChi Key |
BHQCQFFYRZLCQQ-PGHAKIONSA-N
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| InChi Code |
InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
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| Chemical Name |
(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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| Synonyms |
Allocholic acid 3-α,7-α,12-α-Trihydroxy-5-α-cholanoic Acid 5α-Cholic 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 : ~33.33 mg/mL (~81.58 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.09 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.09 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.09 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4476 mL | 12.2378 mL | 24.4756 mL | |
| 5 mM | 0.4895 mL | 2.4476 mL | 4.8951 mL | |
| 10 mM | 0.2448 mL | 1.2238 mL | 2.4476 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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