| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Pregnenolone-d4-1 targets the same biological systems as pregnenolone, which is a precursor in the steroidogenesis pathway. Pregnenolone is converted to various steroid hormones by cytochrome P450 enzymes and other steroidogenic enzymes. It also acts as a neurosteroid, modulating GABA-A receptors, NMDA receptors, and other neurotransmitter systems. As a deuterated analog, pregnenolone-d4-1 is primarily used as an analytical standard rather than for studying receptor binding or pharmacological activity.
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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, pregnenolone-d4-1 is used in analytical assays for the quantification of pregnenolone 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 pregnenolone to downstream steroid hormones. 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, pregnenolone-d4-1 is used in pharmacokinetic and metabolic studies to track the disposition of pregnenolone. 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.
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| Enzyme Assay |
The in vitro assays for pregnenolone-d4-1 typically involve LC-MS/MS analysis of biological samples. The compound is added to samples as an internal standard at a known concentration. Samples are extracted and analyzed by LC-MS/MS, and the compound is quantified by monitoring specific mass transitions.
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| Cell Assay |
For in vitro cellular assays, pregnenolone-d4-1 may be used in cell culture studies to track the metabolism of pregnenolone. Cells are treated with the compound, and the media and cell lysates are analyzed by LC-MS/MS.
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| Animal Protocol |
For in vivo studies, pregnenolone-d4-1 is administered to animals at tracer doses, and blood samples are collected for LC-MS/MS analysis.
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| ADME/Pharmacokinetics |
The pharmacokinetics of pregnenolone-d4-1 are expected to be similar to those of unlabeled pregnenolone.
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| Toxicity/Toxicokinetics |
Toxicology data are limited, as the compound is used at tracer doses and is considered safe for research use.
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| References |
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| Additional Infomation |
Pregnenolone-d4-1 is a deuterium-labeled analog of pregnenolone used as an internal standard for LC-MS/MS analysis. It is a research tool for studying steroid metabolism and is not approved for human use.
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| Molecular Formula |
C21H32O2
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|---|---|
| Molecular Weight |
316.47758
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| Exact Mass |
320.265
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| CAS # |
61574-54-7
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| Related CAS # |
Pregnenolone;145-13-1
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| PubChem CID |
90474121
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| Appearance |
White to off-white solid powder
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| LogP |
4.515
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
23
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| Complexity |
550
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| Defined Atom Stereocenter Count |
7
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| SMILES |
[2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)C([2H])([2H])[2H]
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| InChi Key |
ORNBQBCIOKFOEO-QVFJSNPXSA-N
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| InChi Code |
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D
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| Chemical Name |
2,2,2-trideuterio-1-[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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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 : ~31.25 mg/mL (~97.50 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 | 3.1598 mL | 15.7988 mL | 31.5976 mL | |
| 5 mM | 0.6320 mL | 3.1598 mL | 6.3195 mL | |
| 10 mM | 0.3160 mL | 1.5799 mL | 3.1598 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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