| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
IC50: 0.13 μM (Rat 11β-HSD1), 0.34 μM (Human 11β-HSD1)[1]
The primary target of 11β-HSD1-IN-11 is 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1), an enzyme that catalyzes the regeneration of active cortisol from inactive cortisone in a tissue-specific manner. The compound acts as a competitive inhibitor, meaning it competes with the substrate for binding to the enzyme's active site. The IC50 values are 0.34 μM against rat 11β-HSD1 and 0.13 μM against human 11β-HSD1. In cell-based assays using CHO cells expressing human 11β-HSD1, the compound shows an IC50 of 0.187 μM (190 nM) for inhibiting the conversion of cortisone to cortisol. |
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| ln Vitro |
In vitro, 11β-HSD1-IN-11 demonstrates potent inhibition of 11β-HSD1 activity. In enzyme-based assays, the compound exhibits IC50 values of 0.34 μM and 0.13 μM against rat and human 11β-HSD1, respectively. In cellular assays using CHO cells transfected with human 11β-HSD1, the compound inhibits the conversion of cortisone to cortisol with an IC50 of 0.187 μM (approximately 190 nM). Importantly, the compound shows high selectivity for 11β-HSD1 over 11β-HSD2, with an IC50 greater than 200 μM against human 11β-HSD2 expressed in CHO cells.
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| ln Vivo |
The total abundance of 11β-HSD1-IN-11 (Compound c1a) (15 mg/kg; oral gavage; once) in the rat liver was decreased by a single dosage of the 11β-HSD1 inhibitor Merck 544[1].
In vivo data for 11β-HSD1-IN-11 are limited in the available literature. However, as a competitive 11β-HSD1 inhibitor, the compound is expected to reduce tissue-specific cortisol production and improve metabolic parameters in animal models of obesity, diabetes, and metabolic syndrome. Further in vivo studies are needed to fully characterize the compound's efficacy and pharmacokinetic profile. |
| Enzyme Assay |
The in vitro enzyme assay for 11β-HSD1 inhibitors typically involves measuring the conversion of cortisone to cortisol using recombinant human or rat 11β-HSD1 enzyme. The assay is performed in a suitable buffer system (e.g., Tris-HCl, pH 7.4) containing NADPH as a cofactor. Test compounds are incubated with the enzyme and substrate at various concentrations, and the reaction is terminated after a specified incubation period. The amount of cortisol produced is quantified using ELISA, mass spectrometry, or radiometric detection methods. IC50 values are calculated by fitting dose-response curves to the inhibition data.
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| Cell Assay |
Cellular assays for 11β-HSD1-IN-11 are typically performed using CHO cells stably or transiently transfected with human 11β-HSD1 or 11β-HSD2. Cells are treated with the test compound at various concentrations in the presence of cortisone substrate. After incubation, the conversion of cortisone to cortisol is measured in the cell culture medium using ELISA. The cellular IC50 for human 11β-HSD1 is 0.187 μM (190 nM), while the IC50 for human 11β-HSD2 is greater than 200 μM, demonstrating excellent selectivity.
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| Animal Protocol |
In vivo animal studies for 11β-HSD1 inhibitors typically involve oral or intraperitoneal administration of the test compound to rodent models. Following treatment, blood and tissue samples are collected to measure cortisol levels, glucose tolerance, insulin sensitivity, and hepatic enzyme expression. A single dose of the 11β-HSD1 inhibitor Merck 544 has been shown to reduce overall cortisol production in vivo, suggesting that similar studies with 11β-HSD1-IN-11 would be informative.
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| ADME/Pharmacokinetics |
As a small-molecule inhibitor, the pharmacokinetic properties of 11β-HSD1-IN-11 would depend on its physicochemical characteristics. The compound is a competitive inhibitor with potent activity against both rat and human 11β-HSD1. Detailed PK parameters such as half-life, bioavailability, and tissue distribution are not available in the public domain. For research purposes, the compound is typically formulated in DMSO for in vitro studies and may be administered via oral or intraperitoneal routes in vivo.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for 11β-HSD1-IN-11 in the available literature. As a research chemical, the compound is intended for laboratory use only and should be handled with standard safety precautions. Toxicity studies would be required if the compound were to be developed further for therapeutic applications.
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| References | |
| Additional Infomation |
11β-HSD1-IN-11 (compound c1a) is a competitive 11β-HSD1 inhibitor with IC50 values of 0.34 μM (rat) and 0.13 μM (human). The compound shows high selectivity for 11β-HSD1 over 11β-HSD2 (IC50 >200 μM) in CHO cell-based assays. In cellular assays, the compound inhibits human 11β-HSD1 with an IC50 of 0.187 μM (190 nM). The compound is a research tool for studying the role of 11β-HSD1 in metabolic disorders.
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| Molecular Formula |
C15H11F3O3S
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|---|---|
| Molecular Weight |
328.31
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| Exact Mass |
328.038
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| CAS # |
859721-81-6
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| PubChem CID |
11232699
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
479
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)C(F)(F)F
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| InChi Key |
PDXUGNITDTZZFN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11F3O3S/c16-15(17,18)12-8-6-11(7-9-12)14(19)10-22(20,21)13-4-2-1-3-5-13/h1-9H,10H2
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| Chemical Name |
2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]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) |
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 | 3.0459 mL | 15.2295 mL | 30.4590 mL | |
| 5 mM | 0.6092 mL | 3.0459 mL | 6.0918 mL | |
| 10 mM | 0.3046 mL | 1.5230 mL | 3.0459 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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