| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Methyl cholate does not have a specific pharmacological target. It is the methyl ester form of cholic acid. Cholic acid, the parent compound, is one of the major bile acids produced by the liver, where it is synthesized from cholesterol. Bile acids function as detergents to emulsify fats and as signaling molecules.
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|---|---|
| ln Vitro |
In vitro, methyl cholate is used as a bile acid derivative with anti-inflammatory and antitumor activity. It is used in studies of bile acid metabolism and membrane solubilization. Its physicochemical properties, such as its surfactant activity, are characterized in vitro. It is used as a standard in analytical chemistry for the identification and quantification of bile acids.
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| ln Vivo |
In vivo, methyl cholate is used as a research tool in studies of bile acid metabolism. As a methyl ester of cholic acid, it can be administered to animals to study bile acid absorption, metabolism, and excretion. Its effects on lipid metabolism and inflammation are also studied. Further in vivo studies are needed to fully characterize its biological activities.
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| Enzyme Assay |
In vitro analytical assays for methyl cholate are performed using high-performance liquid chromatography (HPLC) or gas chromatography (GC). The compound is used as a reference standard for the identification and quantification of bile acids in biological samples. Its chromatographic properties, such as retention time and mass spectrum, are characterized.
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| Cell Assay |
In vitro cellular studies are conducted using hepatocytes or other cell types to study bile acid metabolism and signaling. Cells are treated with methyl cholate at various concentrations. Bile acid uptake, metabolism, and efflux are assessed. Gene expression changes related to bile acid synthesis and metabolism are analyzed by qRT-PCR. Cell viability is assessed using standard cytotoxicity assays.
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| Animal Protocol |
In vivo animal experiments are performed in models of bile acid metabolism and cholestasis. Animals are administered methyl cholate via oral gavage or injection. Bile acid levels in serum, liver, and bile are measured. Liver function tests and histopathological examination are performed. The compound's effects on lipid metabolism and inflammation are evaluated.
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| ADME/Pharmacokinetics |
Methyl cholate has a molecular formula of C25H42O5 and a molecular weight of 422.60 g/mol. It appears as a white to almost white crystalline powder. For storage, it should be kept in a cool, dry place, protected from light and moisture. The compound is supplied with high purity for research purposes. It is the methyl ester form of cholic acid.
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| Toxicity/Toxicokinetics |
As a research chemical, methyl cholate is not intended for human use. Its toxicological profile is not fully characterized. Standard laboratory safety precautions should be followed when handling it. Its effects are related to its role as a bile acid derivative, which can affect lipid metabolism and cell signaling.
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| References | |
| Additional Infomation |
Methylcholate is a bile acid.
Methyl cholate is the methyl ester form of cholic acid. Cholic acid is one of the major bile acids produced by the liver and synthesized from cholesterol. Methyl cholate is used as a research tool in studies of bile acid metabolism, membrane solubilization, and as a standard in analytical chemistry. It has been reported to have anti-inflammatory and antitumor activities. |
| Molecular Formula |
C25H42O5
|
|---|---|
| Molecular Weight |
422.5980
|
| Exact Mass |
422.303
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| CAS # |
1448-36-8
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| PubChem CID |
10960835
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| Appearance |
White to off-white solid powder
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| Density |
1.141g/cm3
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| Boiling Point |
541.6ºC at 760mmHg
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| Melting Point |
155-156°C
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| Flash Point |
174.9ºC
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| Vapour Pressure |
5.49E-14mmHg at 25°C
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| Index of Refraction |
1.539
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| LogP |
3.537
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
30
|
| Complexity |
652
|
| Defined Atom Stereocenter Count |
11
|
| SMILES |
C[C@H](CCC(=O)OC)[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
|
| InChi Key |
DLYVTEULDNMQAR-SRNOMOOLSA-N
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| InChi Code |
InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
|
| Chemical Name |
methyl (4R)-4-[(3R,5S,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]pentanoate
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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 (~236.63 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.92 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 25.0 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: ≥ 2.5 mg/mL (5.92 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.92 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 | 2.3663 mL | 11.8315 mL | 23.6630 mL | |
| 5 mM | 0.4733 mL | 2.3663 mL | 4.7326 mL | |
| 10 mM | 0.2366 mL | 1.1832 mL | 2.3663 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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