| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Methyl 7alpha-hydroxy-3-ketocholanoate has a role as a bile acid compound. It may interact with bile acid receptors such as the farnesoid X receptor (FXR) or the G protein-coupled bile acid receptor 1 (TGR5), though this is not explicitly confirmed. Its structure, with a hydroxyl group at the 7alpha position and a ketone at the 3-position, suggests it is likely an intermediate or a synthetic analog in bile acid pathways. Its potential use in neurological disease research suggests it may have effects on the central nervous system via these receptors.
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| ln Vitro |
In non-cell assays, Methyl 7alpha-hydroxy-3-ketocholanoate can be used to study the activity of enzymes involved in bile acid metabolism, such as hydroxysteroid dehydrogenases. The compound can serve as a substrate, and the conversion to its product can be monitored by HPLC or LC-MS/MS. It can also be utilized as an analytical standard to identify and quantify related bile acid metabolites in biological samples.
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| ln Vivo |
No specific in vitro cell-based bioactivity data is available for Methyl 7alpha-hydroxy-3-ketocholanoate. It may be used to treat neuronal cell lines to study its effects on cell viability, gene expression, or signaling pathways related to neuroprotection or neurodegeneration. For example, cells could be treated with the compound (e.g., 1-50 uM) for 24-72 hours, and markers of oxidative stress or inflammation could be measured.
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| Enzyme Assay |
For a non-cell analytical assay, Methyl 7alpha-hydroxy-3-ketocholanoate can be analyzed by HPLC with UV detection. A standard solution is prepared by dissolving the compound in methanol. The sample is injected onto a reverse-phase C18 column, eluted with a mobile phase of acetonitrile and water, and detected at a wavelength of 210 nm. The retention time and peak area are used for identification and quantification.
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| Cell Assay |
No specific in vitro cell-based assay protocols for Methyl 7alpha-hydroxy-3-ketocholanoate are available. To study its potential effects, a researcher could treat a neuronal cell line like SH-SY5Y with the compound at varying concentrations (e.g., 0.1-100 uM) for 24-48 hours. Cell viability would then be assessed using an MTT assay. The expression of genes related to bile acid signaling, such as FXR or TGR5, could be measured by qPCR.
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| Animal Protocol |
No in vivo animal model studies for Methyl 7alpha-hydroxy-3-ketocholanoate are available. However, given its potential use in neurological disease research, a standard protocol could involve administering the compound to mouse models of neurodegenerative diseases, such as Alzheimer's or Parkinson's disease. The compound would be administered by intraperitoneal injection (e.g., 10-100 mg/kg) for several weeks. Cognitive function or motor performance would be assessed, and brain tissue would be analyzed for pathology markers.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Methyl 7alpha-hydroxy-3-ketocholanoate is not available. As a bile acid ester, it is expected to be lipophilic and may have good cell permeability. It is likely to be metabolized by esterases to the corresponding free acid, which could then be conjugated with taurine or glycine and excreted. For research use, it is stored as a powder at -20degC, where it is stable for up to three years.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Methyl 7alpha-hydroxy-3-ketocholanoate is not available. Bile acids and their derivatives can be cytotoxic at high concentrations. Standard safety practices for handling research chemicals should be followed, including the use of PPE (gloves, lab coat, safety goggles). It is intended for research use only and is not for human or veterinary use.
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| References | |
| Additional Infomation |
Methyl 7alpha-hydroxy-3-ketocholanoate is a research chemical and is not an FDA-approved drug. It has no approved clinical use. It is primarily a biochemical tool for researchers studying bile acid synthesis, metabolism, and signaling, with a specific reported potential in the context of neurological diseases. It is supplied as a high-purity solid for in vitro and preclinical research applications.
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| Molecular Formula |
C25H40O4
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|---|---|
| Molecular Weight |
404.58
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| Exact Mass |
404.293
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| CAS # |
14773-00-3
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| PubChem CID |
11750068
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| Appearance |
Typically exists as solids at room temperature
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| LogP |
4.775
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
659
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| Defined Atom Stereocenter Count |
9
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| SMILES |
CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C
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| InChi Key |
XHRLTYUHWGHDCJ-WZAAVQHPSA-N
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| InChi Code |
InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-/m1/s1
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| Chemical Name |
methyl (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4717 mL | 12.3585 mL | 24.7170 mL | |
| 5 mM | 0.4943 mL | 2.4717 mL | 4.9434 mL | |
| 10 mM | 0.2472 mL | 1.2358 mL | 2.4717 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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