| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Cortodoxone-d5 targets the same biological systems as cortodoxone, which is a precursor in the cortisol biosynthesis pathway. Cortodoxone is converted to cortisol by 11β-hydroxylase (CYP11B1) in the adrenal cortex. It is also a substrate for other steroidogenic enzymes. As a deuterated analog, cortodoxone-d5 is used to study the metabolism and disposition of cortodoxone without significantly altering its biological activity. The compound is primarily used as an analytical standard rather than for studying receptor binding or enzyme inhibition.
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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].
In vitro, cortodoxone-d5 is used in analytical assays for the quantification of cortodoxone and related steroids in biological samples. It serves as an internal standard in LC-MS/MS methods to correct for variations in sample preparation, ionization efficiency, and matrix effects. The compound is also used in studies of steroid metabolism to track the conversion of cortodoxone to cortisol and other metabolites. Its in vitro biological activity is not typically studied, as it is used as a tracer rather than a pharmacologically active compound. |
| ln Vivo |
In vivo, cortodoxone-d5 is used in pharmacokinetic and metabolic studies to track the disposition of cortodoxone. It may be administered to animals or humans in tracer amounts, and its concentration in plasma, urine, and tissues is measured by mass spectrometry. The deuterated label allows for simultaneous measurement of the labeled and unlabeled compound, enabling detailed pharmacokinetic analysis. Its in vivo effects are minimal at tracer doses, as it is not intended to exert pharmacological activity.
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| Enzyme Assay |
The in vitro assays for cortodoxone-d5 typically involve LC-MS/MS analysis of biological samples. The compound is added to samples (e.g., plasma, urine, tissue homogenates) as an internal standard at a known concentration. Samples are extracted using solid-phase extraction or liquid-liquid extraction and analyzed by LC-MS/MS. The compound is quantified by monitoring specific mass transitions for the deuterated compound and the analyte of interest (cortodoxone). Calibration curves are prepared using known concentrations of the unlabeled compound with a fixed concentration of the deuterated internal standard.
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| Cell Assay |
For in vitro cellular assays, cortodoxone-d5 may be used in cell culture studies to track the metabolism of cortodoxone. Cells (e.g., adrenal cell lines) are treated with the compound, and the media and cell lysates are analyzed by LC-MS/MS for cortodoxone and its metabolites. The deuterated compound allows for precise quantification and metabolic tracing. However, specific protocols vary depending on the study objectives and the cell type used.
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| Animal Protocol |
For in vivo studies, cortodoxone-d5 is typically administered to animals via intravenous or oral administration at tracer doses (e.g., 0.1-1 mg/kg). Blood samples are collected at various time points, and plasma concentrations of the deuterated and unlabeled compound are measured by LC-MS/MS. Pharmacokinetic parameters (e.g., half-life, clearance, volume of distribution) are calculated from the concentration-time profiles. The compound may also be used in human studies as a tracer to study cortisol metabolism. All animal procedures are conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of cortodoxone-d5 are expected to be similar to those of unlabeled cortodoxone, as the deuterium label does not significantly alter the compound's physical or chemical properties. Cortodoxone is rapidly absorbed and metabolized, with a short half-life. It is primarily metabolized in the liver and excreted in urine as metabolites. The deuterated compound is used as an internal standard to accurately measure the pharmacokinetics of cortodoxone and related steroids in biological samples.
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| Toxicity/Toxicokinetics |
Toxicology data for cortodoxone-d5 are limited, as the compound is used at tracer doses and is not intended to exert pharmacological activity. At the low doses used for analytical purposes, the compound is considered safe and non-toxic. It is not genotoxic or carcinogenic. The compound should be handled with appropriate laboratory safety precautions, as it is a research chemical and not approved for human therapeutic use. Comprehensive toxicology studies would not be required for its use as an analytical standard.
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| References | |
| Additional Infomation |
Cortodoxone-d5 is a deuterium-labeled analog of cortodoxone (11-deoxycortisol) used as an internal standard for LC-MS/MS analysis of corticosteroids in biological samples. It is a research tool for studying steroid metabolism, pharmacokinetics, and analytical method development. The compound is not approved for human use and is intended for research purposes only. Its deuterium labeling allows for precise quantification of cortodoxone in complex biological matrices, enabling accurate pharmacokinetic and metabolic studies. The compound is available as a research-grade reagent for laboratory use.
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| Molecular Formula |
C21H30O4
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|---|---|
| Molecular Weight |
346.460506916046
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| Exact Mass |
351.245
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| CAS # |
1258063-56-7
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| Related CAS # |
Cortodoxone;152-58-9
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| PubChem CID |
71310746
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
524.5±50.0 °C at 760 mmHg
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| Melting Point |
208 °C (dec.)
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| Flash Point |
285.1±26.6 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.578
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| LogP |
2.74
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
25
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| Complexity |
652
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| Defined Atom Stereocenter Count |
6
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| SMILES |
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)CO)O)C)C
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| InChi Key |
WHBHBVVOGNECLV-NGKMQDFHSA-N
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| InChi Code |
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1/i3D2,5D2,11D
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| Chemical Name |
(8R,9S,10R,13S,14S,17R)-2,2,4,6,6-pentadeuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[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) |
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 | 2.8863 mL | 14.4317 mL | 28.8634 mL | |
| 5 mM | 0.5773 mL | 2.8863 mL | 5.7727 mL | |
| 10 mM | 0.2886 mL | 1.4432 mL | 2.8863 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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