| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Pregnenolone-Carbonitrile primarily targets the pregnane X receptor (PXR), a nuclear receptor that regulates the expression of drug-metabolizing enzymes and transporters. By activating PXR, PCN induces the expression of CYP3A and other PXR target genes. In primary rat hepatocyte cultures, PCN induces the PXR target gene CYP3A1 with an EC50 of 1.4 ± 0.6 µM. PCN is approximately 57-fold more potent than the endogenous bile acid lithocholic acid (LCA) in inducing CYP3A1 expression.
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| ln Vitro |
With epidermal activity, pregnenolone 16α-carbonitrile is a powerful cryo-PXR activator that is the embodiment of perfection. Synthetic obese, pregnenolone 16α-carbonitrile, has been shown to promote resistance to stress shocks [1][2][3]. It also increases the production of cytochrome P450 3A.
In vitro, PCN induces the expression of CYP3A1 in primary rat hepatocyte cultures with an EC50 of 1.4 ± 0.6 µM. It is a potent activator of rodent PXR and is approximately 57-fold more potent than LCA in inducing CYP3A1 expression. Its activity is characterized by its ability to activate PXR and induce the expression of PXR target genes. PCN is hepatoprotective in vitro, increasing resistance to subsequent liver injury. |
| ln Vivo |
Pregnenolone 16α-carbonitrile (40 mg/kg/day; ip; for two days) stimulates the expression of Cyp3a11 and Cyp2b10 at the mRNA, protein and enzyme levels in WT mice [1]. Pregnenolone 16α-carbonitrile (100 mg/kg) Pregnenolone 16α-carbonitrile (35 mg/kg; gavage; once a day for three consecutive days) enhances the expression of Sprague-Dawley CYP3A mRNA in males and females weighing 150 -200 g [2].
In vivo, PCN is an orally active PXR activator that induces the expression of CYP3A in the liver. It is hepatoprotective by increasing resistance to subsequent liver injury. PCN inhibits rodent liver fibrogenesis via PXR-dependent and PXR-independent mechanisms. Its effects on drug metabolism and hepatoprotection make it a valuable tool for studying PXR function and its role in liver physiology and disease. |
| Enzyme Assay |
The in vitro activity of PCN is assessed using cell-based PXR activation assays. Primary rat hepatocytes or cells transfected with PXR and a PXR-responsive reporter gene are cultured in appropriate media. Cells are treated with various concentrations of PCN, and the activation of PXR is assessed by measuring reporter gene activity (e.g., luciferase activity) or by measuring the expression of PXR target genes (e.g., CYP3A1) by qPCR. The EC50 is determined from dose-response curves.
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| Cell Assay |
For cellular assays, primary rat hepatocytes or cell lines expressing PXR (e.g., HepG2 cells transfected with PXR) are cultured in appropriate media. Cells are treated with various concentrations of PCN (typically 0.01-100 µM) for defined periods (24-48 hours). The expression of CYP3A1 and other PXR target genes is analyzed by qPCR. CYP3A enzyme activity can be assessed by measuring the metabolism of a CYP3A substrate (e.g., testosterone, midazolam) using HPLC or LC-MS/MS. Cell viability is assessed using standard assays.
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| Animal Protocol |
Animal/Disease Models: WT and Pxr-/- mice [1]
Doses: 40 mg/kg Route of Administration: IP; -Dawley deposited Pgp expression, age approximately 100 days, body weight 250-400 grams [3]. one time/day for two days Experimental Results: Induced expression of Cyp3a11 and Cyp2b10 at the mRNA, protein and enzyme levels in WT mice. Little effect on the expression of Cyp3a11 in Pxr-/- mice In vivo, PCN is typically administered orally to rodents. In hepatoprotection studies, the compound is administered at various doses (typically 10-100 mg/kg) before exposure to hepatotoxic agents (e.g., CCl4, acetaminophen). Liver injury is assessed by measuring serum liver enzymes (ALT, AST), histopathological examination of liver tissue, and measurement of inflammatory markers. In liver fibrosis models, PCN is administered during the fibrogenesis phase, and fibrosis is assessed by measuring collagen deposition and expression of fibrotic markers. |
| ADME/Pharmacokinetics |
PCN has a molecular weight of 341.49 g/mol and a molecular formula of C22H31NO2. It is soluble in DMSO and should be stored as a powder at -20°C under desiccated conditions. Specific pharmacokinetic parameters such as bioavailability, half-life, and volume of distribution are not detailed in the provided search results. The compound is orally active, making it suitable for in vivo studies.
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| Toxicity/Toxicokinetics |
Specific toxicity data for PCN is not available in the provided search results. As a PXR activator, it may affect drug metabolism and potentially alter the pharmacokinetics of co-administered drugs. The compound is intended for research purposes only and is not approved for human or veterinary use. Standard laboratory safety precautions should be followed when handling the compound. Comprehensive toxicological studies are required to establish its full safety profile.
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| References |
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| Additional Infomation |
Pregnenolone 16α-nitrile is an aliphatic nitrile compound whose function is related to pregnenolone. It is a hallucinogenic steroid and microsomal enzyme inducer with significant effects on cytochrome P450 induction. Furthermore, it has shown potential protective effects against acetaminophen-induced liver injury.
Pregnenolone-Carbonitrile is a research compound that is widely used as a prototypical rodent PXR activator. It is a valuable tool for studying PXR function, drug metabolism, and hepatoprotection. PCN has been used extensively in studies on CYP3A induction, liver fibrosis, and the role of PXR in liver physiology and disease. The compound is not approved for clinical use and is intended for research purposes only. |
| Molecular Formula |
C22H31NO2
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| Molecular Weight |
341.48704
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| Exact Mass |
341.235
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| CAS # |
1434-54-4
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| PubChem CID |
15032
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
508.5±50.0 °C at 760 mmHg
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| Flash Point |
261.3±30.1 °C
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| Vapour Pressure |
0.0±3.0 mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
3.22
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
25
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| Complexity |
673
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| Defined Atom Stereocenter Count |
8
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| SMILES |
CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N
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| InChi Key |
VSBHRRMYCDQLJF-ZDNYCOCVSA-N
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| InChi Code |
InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
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| Chemical Name |
(3S,8S,9S,10R,13S,14S,16R,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
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| Synonyms |
Pregnenolone-16alpha-carbonitrile SC4674 SC 4674 SC-4674 PCNPregnenolone-carbonitrile
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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 : ~20 mg/mL (~58.57 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (4.19 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 1.43 mg/mL (4.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9283 mL | 14.6417 mL | 29.2834 mL | |
| 5 mM | 0.5857 mL | 2.9283 mL | 5.8567 mL | |
| 10 mM | 0.2928 mL | 1.4642 mL | 2.9283 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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