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| Other Sizes |
| Targets |
5α-Cholestan-3-one does not have a specific therapeutic target but serves as an intermediate in cholesterol and lipid metabolism. It is considered a metabolite of testosterone. It has been shown to interact with several enzymes involved in steroid metabolism. Associated human targets include SLCO1B1 (solute carrier organic anion transporter family member 1B1) and LDLR (low-density lipoprotein receptor). It plays a role in the biosynthesis of other steroids, influencing hormonal activities and lipid metabolism.
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| ln Vitro |
In vitro studies of 5α-Cholestan-3-one typically involve its use as a reference compound or substrate in enzymatic assays to study steroid metabolism. It is used to investigate the activity of enzymes involved in the conversion of cholesterol to other steroids. The compound is also used in studies of lipid metabolism and as a marker for certain metabolic disorders such as cerebrotendinous xanthomatosis, where its levels are elevated.
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| ln Vivo |
In vivo, 5α-Cholestan-3-one serves as an intermediate in the biosynthesis of other steroids, influencing hormonal activities and lipid metabolism. It is elevated in the case of cerebrotendinous xanthomatosis, a rare genetic disorder characterized by abnormal cholesterol metabolism. In vivo studies may involve measuring the levels of this compound in biological samples to assess metabolic disorders or to study the effects of interventions on cholesterol metabolism.
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| Enzyme Assay |
In vitro enzyme assays for 5α-Cholestan-3-one typically involve studying its interaction with enzymes involved in steroid metabolism, such as those responsible for its conversion to other steroids. Enzyme activity assays can be performed to measure the rate of conversion of 5α-cholestan-3-one to downstream metabolites. Receptor binding studies may also be conducted to assess its interaction with proteins such as SLCO1B1 or LDLR.
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| Cell Assay |
5α-Cholestan-3-one is not typically used in cell-based assays as a bioactive compound. However, it may be used in studies of lipid metabolism in cultured cells. For example, cells may be treated with the compound to study its effects on cholesterol metabolism or to assess its role as a signaling molecule. The compound may also be used as a reference standard in assays measuring steroid levels in cell culture supernatants.
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| Animal Protocol |
In vivo animal studies involving 5α-Cholestan-3-one are typically conducted in the context of studying cholesterol and lipid metabolism. Animal models of metabolic disorders, such as cerebrotendinous xanthomatosis, may be used to study the role of this compound in disease pathogenesis. The compound may be administered to animals to study its metabolism and effects on lipid profiles. However, it is primarily used as a biomarker rather than a therapeutic agent.
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| ADME/Pharmacokinetics |
5α-Cholestan-3-one has a molecular formula of C27H46O and a molecular weight of 386.65. The compound is employed as an intermediate for organic synthesis. It is an endogenously produced metabolite. The compound is typically supplied as a solid and should be stored according to the manufacturer's recommendations. Its logP suggests it is primarily located in the cell membrane.
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| Toxicity/Toxicokinetics |
The toxicity profile of 5α-Cholestan-3-one as a standalone compound is not extensively characterized, as it is an endogenous metabolite and not a therapeutic agent. It is considered a natural product of cholesterol metabolism and is not typically associated with toxicity at physiological levels. However, elevated levels are associated with cerebrotendinous xanthomatosis. The compound is intended for research use only.
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| Additional Infomation |
5α-Cholesterane-3-one is a 3-oxo-5α-steroid compound formed by the substitution of 5α-cholestane with an oxo group at the 3-position. It is a mammalian metabolite. It is both a 3-oxo-5α-steroid and a 3-oxocholestane. It is derived from the hydride of 5α-cholestane.
See also: coprostadone (note moved to). 5α-Cholestan-3-one (5α-Cholestanone) (CAS 566-88-1) is an endogenous metabolite and an intermediate product in cholesterol metabolism. It is a 3-oxo-5α-steroid that is 5α-cholestane substituted by an oxo group at position 3. The compound is also known as coprostanone. It is elevated in the case of cerebrotendinous xanthomatosis and plays a role in the biosynthesis of other steroids, influencing hormonal activities and lipid metabolism. |
| Molecular Formula |
C27H46O
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|---|---|
| Molecular Weight |
386.65
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| Exact Mass |
386.354
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| CAS # |
566-88-1
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| PubChem CID |
92128
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
452.9±13.0 °C at 760 mmHg
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| Melting Point |
128 - 130 °C
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| Flash Point |
219.3±12.1 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.498
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| LogP |
9.64
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
579
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| Defined Atom Stereocenter Count |
8
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| SMILES |
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
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| InChi Key |
PESKGJQREUXSRR-UXIWKSIVSA-N
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| InChi Code |
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
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| Chemical Name |
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
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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) |
Ethanol :~14.29 mg/mL (~36.96 mM)
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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 | 2.5863 mL | 12.9316 mL | 25.8632 mL | |
| 5 mM | 0.5173 mL | 2.5863 mL | 5.1726 mL | |
| 10 mM | 0.2586 mL | 1.2932 mL | 2.5863 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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