HSD17B13-IN-2
Based on 1 Customer Validation
HSD17B13-IN-2 is an HSD17B13 inhibitor with human IC50 values of 0.18 μM (with β-estradiol as substrate) and 0.25 μM (with Leukotriene B4 as substrate), and it exhibits selectivity for human HSD17B11. HSD17B13-IN-2 binds to the active site of HSD17B13 in an NAD+-dependent manner, interacts with the bound NAD+ cofactor, and stabilizes human HSD17B13 protein to prevent its aggregation. HSD17B13-IN-2 reduces the conversion of β-estradiol to estrone in cellular assays. HSD17B13-IN-2 can be used in studies related to nonalcoholic fatty liver disease.
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- Pureté : 99.72%
- CAS No.: 863564-24-3
- Formule: C21H23F2NO4
- Masse moléculaire:391.41
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Stockage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Protocole
- Pureté et documentation
- Références
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Help & FAQs
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Activité biologique
Description
In Vitro
HSD17B13-IN-2 (Compound 1) (0-80 μM; 2 h) potently inhibits the activity of purified human HSD17B13 with an IC50 of 0.18 μM when β-estradiol serves as the substrate, and an IC50 of 0.25 μM when leukotriene B4 acts as the substrate[1].
HSD17B13-IN-2 (50 μM) binds to canine mutant HSD17B13 (with humanized active site residues) in the presence of 500 μM NAD+, and increases the aggregation temperature (Tagg) of this protein by 8.5 °C[1].
HSD17B13-IN-2 (1 mM) binds to the active site of one subunit of canine wild-type HSD17B13 dimer in the presence of NAD+, displaces the C-terminal peptide, and forms specific hydrogen bonds and hydrophobic interactions with the protein[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 863564-24-3
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Appearance Solid
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Masse moléculaire 391.41
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Formule C21H23F2NO4
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Color White to off-white
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SMILES
O=C(NC[C@]1(O)CC[C@H](COC2=CC=CC=C2F)CC1)C3=CC(F)=C(O)C=C3
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvant et solubilité
In Vitro:
DMSO : 100 mg/mL (255.49 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (6.39 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (6.39 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureté et documentation
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Fiche technique (271 KB)
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SDS (254 KB)
- English - EN (254 KB)
- Français - FR (254 KB)
- Deutsch - DE (254 KB)
- Norwegian - NO (254 KB)
- Español - ES (254 KB)
- Swedish - SV (254 KB)
- Italian - IT (254 KB)
- Korean - KR (254 KB)
- Portuguese - PT (254 KB)
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Instruction de manipulation (2659 KB)
Références
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.5549 mL | 12.7743 mL | 25.5487 mL | 63.8716 mL |
| 5 mM | 0.5110 mL | 2.5549 mL | 5.1097 mL | 12.7743 mL | |
| 10 mM | 0.2555 mL | 1.2774 mL | 2.5549 mL | 6.3872 mL | |
| 15 mM | 0.1703 mL | 0.8516 mL | 1.7032 mL | 4.2581 mL | |
| 20 mM | 0.1277 mL | 0.6387 mL | 1.2774 mL | 3.1936 mL | |
| 25 mM | 0.1022 mL | 0.5110 mL | 1.0219 mL | 2.5549 mL | |
| 30 mM | 0.0852 mL | 0.4258 mL | 0.8516 mL | 2.1291 mL | |
| 40 mM | 0.0639 mL | 0.3194 mL | 0.6387 mL | 1.5968 mL | |
| 50 mM | 0.0511 mL | 0.2555 mL | 0.5110 mL | 1.2774 mL | |
| 60 mM | 0.0426 mL | 0.2129 mL | 0.4258 mL | 1.0645 mL | |
| 80 mM | 0.0319 mL | 0.1597 mL | 0.3194 mL | 0.7984 mL | |
| 100 mM | 0.0255 mL | 0.1277 mL | 0.2555 mL | 0.6387 mL |
HSD17B13-IN-2 Related Classifications
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