| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
4beta-Hydroxycholesterol is a metabolite of cholesterol generated by CYP3A4-mediated hydroxylation. It does not have a traditional drug receptor but serves as a substrate for CYP3A4. The compound is a potential ligand for the nuclear receptor LXR (liver X receptor), which plays a role in cholesterol homeostasis and lipid metabolism. It is also used as an endogenous marker to monitor CYP3A4 activity in vivo.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As a stable isotope-labeled compound, 4beta-Hydroxycholesterol-d7 is not used for activity studies. The non-deuterated parent compound, 4beta-hydroxycholesterol, is studied in vitro as an oxysterol that activates LXR and regulates gene expression involved in cholesterol metabolism and reverse cholesterol transport. It is also used to assess CYP3A4 activity in human hepatocytes. However, the primary in vitro application is in drug development to evaluate CYP3A4-mediated drug-drug interactions. The deuterated version is not used in such assays. |
| ln Vivo |
In vivo, 4beta-hydroxycholesterol is not administered as a drug. Instead, its concentration in plasma is measured as an endogenous biomarker of CYP3A4 activity. Elevated levels indicate increased CYP3A4 activity (due to enzyme induction), while decreased levels suggest CYP3A4 inhibition. This biomarker is used to assess the effect of test drugs on CYP3A4 in clinical trials and to predict drug-drug interactions. 4beta-Hydroxycholesterol-d7 serves as an internal standard for quantification of 4beta-HC.
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| Enzyme Assay |
For non-cellular assays (analytical quantification), 4beta-Hydroxycholesterol-d7 is prepared as a stock solution in ethanol or methanol (1 mg/mL). For LC-MS/MS analysis, a calibration curve for 4beta-hydroxycholesterol is prepared in human plasma (0.1-100 ng/mL) with a fixed concentration of 4beta-HC-d7 (e.g., 10 ng/mL). Sample preparation: 200 uL plasma + 20 uL internal standard + 1 mL of 5% NH4OH in acetonitrile, followed by solid-phase extraction (SPE) using C18 cartridges. The eluent is evaporated to dryness, reconstituted in 100 uL mobile phase (methanol:water:ammonium acetate), and injected onto a C18 column (2.1×50 mm, 1.7 um).
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| Cell Assay |
For cell-based assays, primary human hepatocytes or HepG2 cells are cultured in 6-well plates (1×10⁶ cells/well) in William's E medium with 10% FBS. Cells are treated with CYP3A4 inducers (e.g., rifampicin, 10 uM) or inhibitors for 48-72 hours. Culture medium is collected, and 4beta-hydroxycholesterol levels are measured by LC-MS/MS using 4beta-HC-d7 as an internal standard. Cellular CYP3A4 activity can be correlated with 4beta-HC production.
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| Animal Protocol |
For in vivo animal experiments, 4beta-HC-d7 is not administered; rather, it is used as an analytical standard. For CYP3A4 induction studies, rats or mice are treated with test compounds (inducers or inhibitors) orally or intraperitoneally for 3-14 days. Blood samples are collected at the end of the treatment period. Plasma 4beta-hydroxycholesterol concentrations are measured by LC-MS/MS using 4beta-HC-d7 as an internal standard. The fold-change in 4beta-HC levels relative to control is calculated to determine CYP3A4 modulation. For clinical studies, human volunteers are administered a test drug, and plasma 4beta-HC levels are measured using 4beta-HC-d7 as an internal standard.
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| ADME/Pharmacokinetics |
4beta-Hydroxycholesterol-d7 has a molecular formula of C2₇H3₉D₇O2 and a molecular weight of approximately 409.70. The compound is a white to off-white solid powder, soluble in organic solvents (ethanol, methanol, DMSO, chloroform). It is stable under normal storage conditions and should be stored at -20degC, protected from light. The deuterium labeling (seven deuterium atoms) provides a mass shift of +7 Da, allowing for clear differentiation from non-deuterated 4beta-HC in mass spectrometry.
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| Toxicity/Toxicokinetics |
4beta-Hydroxycholesterol-d7 is a stable isotope-labeled compound with minimal toxicity at analytical concentrations (ng-ug per sample). The non-deuterated parent compound, 4beta-HC, is an endogenous oxysterol and is present in human plasma at low concentrations (typically 10-100 ng/mL). No acute toxicity has been reported. Standard laboratory safety precautions for handling organic compounds should be followed.
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| References | |
| Additional Infomation |
4beta-Hydroxycholesterol-d7 is an analytical standard and research tool, not an approved drug. No clinical trials have been conducted with the deuterated version. The non-deuterated parent compound, 4beta-HC, is used as an endogenous biomarker of CYP3A4 activity in drug development and clinical pharmacology studies. It is not used therapeutically. 4beta-HC-d7 is used exclusively as an internal standard for quantitative LC-MS/MS analysis in research and clinical settings. It is classified as an endogenous metabolite.
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| Molecular Formula |
C27H39D7O2
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|---|---|
| Molecular Weight |
409.70
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| Exact Mass |
409.393
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| CAS # |
1246302-80-6
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| PubChem CID |
3247052
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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 |
500.2±30.0 °C at 760 mmHg
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| Flash Point |
206.7±19.2 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.536
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| LogP |
8.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
624
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| Defined Atom Stereocenter Count |
9
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| SMILES |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C)C([2H])([2H])[2H]
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| InChi Key |
CZDKQKOAHAICSF-BZNWTYAPSA-N
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| InChi Code |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i1D3,2D3,17D
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| Chemical Name |
(3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
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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 | 2.4408 mL | 12.2041 mL | 24.4081 mL | |
| 5 mM | 0.4882 mL | 2.4408 mL | 4.8816 mL | |
| 10 mM | 0.2441 mL | 1.2204 mL | 2.4408 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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