| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
IC50: 2.3 μM (human 11β‑HSD)[1]
The primary target of 11β-HSD1-IN-8 is 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1), a key enzyme in glucocorticoid metabolism that regenerates active cortisol from inactive cortisone. The compound inhibits human 11β-HSD1 with an IC50 value of 2.3 μM. Against rat 11β-HSD1, the compound shows significantly weaker inhibition, with an IC50 value greater than 50 μM. This species selectivity makes the compound a useful tool for studying human 11β-HSD1 in research settings. |
|---|---|
| ln Vitro |
11β-HSD1-IN-8 (0-50 μM) inhibits 11β‑HSD1 in rats and humans, with IC50 values of >50 μM and 2.3 μM, respectively[1].
In vitro, 11β-HSD1-IN-8 (0-50 μM) inhibits human 11β-HSD1 with an IC50 value of 2.3 μM. Against rat 11β-HSD1, the compound shows an IC50 value greater than 50 μM, indicating significant species selectivity. The compound is soluble in DMSO at 100 mg/mL (404.58 mM). These in vitro data suggest that 11β-HSD1-IN-8 is a moderately potent inhibitor with preferential activity against the human enzyme. |
| ln Vivo |
In vivo data for 11β-HSD1-IN-8 are not extensively reported in the available literature. However, based on its mechanism of action as a 11β-HSD1 inhibitor, the compound is expected to reduce local cortisol production in target tissues, which may improve insulin sensitivity, reduce hepatic gluconeogenesis, and attenuate glucocorticoid-mediated cognitive impairment in animal models. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic profiles.
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| 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 (e.g., 0-50 μM), 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 |
Cell-based assays for 11β-HSD1 inhibitors typically use cell lines that endogenously express 11β-HSD1, such as hepatocytes (e.g., HepG2) or adipocytes. 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 or LC-MS/MS. The cellular IC50 reflects the compound's ability to inhibit the enzyme in a physiologically relevant cellular context, accounting for cell permeability and intracellular metabolism.
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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 (e.g., mice or rats) that are either healthy or have diet-induced obesity or diabetes. Following treatment, blood and tissue samples are collected to measure cortisol levels, glucose tolerance, insulin sensitivity, and hepatic enzyme expression. The compound's ability to reduce tissue-specific cortisol production and improve metabolic parameters is assessed.
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| ADME/Pharmacokinetics |
As a small-molecule inhibitor, the pharmacokinetic properties of 11β-HSD1-IN-8 would depend on its physicochemical characteristics. The compound has a molecular weight of 247.17 and is soluble in DMSO. 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 stored as a powder at -20°C (up to 3 years) or in solution at -80°C (up to 6 months).
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for 11β-HSD1-IN-8 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, including acute and sub-chronic dosing in animal models, would be required to establish a safety profile if the compound were to be developed further.
|
| References | |
| Additional Infomation |
11β-HSD1-IN-8 (compound c6a) is a 11β-HSD1 inhibitor with an IC50 of 2.3 μM for human 11β-HSD1. The compound shows species selectivity, with an IC50 greater than 50 μM against rat 11β-HSD1. It has a molecular formula of C10H8F3NO3 and a molecular weight of 247.17. 11β-HSD1-IN-8 can be used for research on diabetes and cognitive decline. The compound is soluble in DMSO and is stored at -20°C in powder form or at -80°C in solution.
|
| Molecular Formula |
C10H8F3NO3
|
|---|---|
| Molecular Weight |
247.17
|
| Exact Mass |
247.046
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| CAS # |
386704-15-0
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| PubChem CID |
2775648
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.341g/cm3
|
| Boiling Point |
295.5ºC at 760 mmHg
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| Melting Point |
60-62ºC
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| Flash Point |
132.5ºC
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| Index of Refraction |
1.459
|
| LogP |
1.846
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
17
|
| Complexity |
304
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC(=O)CC(=O)C1=CN=C(C=C1)C(F)(F)F
|
| InChi Key |
YXRIRKKHNGRGRZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H8F3NO3/c1-17-9(16)4-7(15)6-2-3-8(14-5-6)10(11,12)13/h2-3,5H,4H2,1H3
|
| Chemical Name |
methyl 3-oxo-3-[6-(trifluoromethyl)pyridin-3-yl]propanoate
|
| 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 | 4.0458 mL | 20.2290 mL | 40.4580 mL | |
| 5 mM | 0.8092 mL | 4.0458 mL | 8.0916 mL | |
| 10 mM | 0.4046 mL | 2.0229 mL | 4.0458 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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