Sim-9
Based on 1 Customer Validation
Sim-9 is a covalent allosteric inhibitor of interferon regulatory factor 3 (IRF3). Sim-9 binds covalently to the Cys222 residue of IRF3, induces its conformational change, blocks its interactions with TRIF, MAVS and STING, and inhibits IRF3 homodimerization and type I interferon response. Sim-9 exhibits significant anti-inflammatory, organ-protective and survival benefits in mouse models of sepsis and acute pancreatitis. Sim-9 can be used for research related to inflammatory diseases.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza: 99.79%
- No. CAS: 3099101-40-0
- Fòrmula: C31H28F3NO6
- Peso molecular:567.55
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
Actividad biológica
Descripciòn
In Vitro
Sim-9 (2.5-10 μM) dose-dependently inhibits interferon responses induced by TLRs/RLRs/STING activation in murine RAW264.7 cells and human THP-1/HT-29/A549 cells[1].
Sim-9 (5 μM; 0.5-6 h) inhibits the phosphorylation of IRF3 in mouse RAW264.7 cells activated via the cGAS-STING, TLR3 or RIG-I pathways, without altering the phosphorylation of TBK1[1].
Sim-9 (5 μM) inhibits the homodimerization of IRF3 in mouse RAW264.7 cells activated via the cGAS-STING, TLR3 or RIG-I pathways[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:mouse RAW264.7 cells
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Concentration:5 μM
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Incubation Time:0.5, 1, 2, 4, 6 h
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Result:Significantly reduced phosphorylated IRF3 levels starting at 1 h post-stimulation, with suppression sustained for up to 6 h.
Did not affect phosphorylated or total TBK1 protein levels.
In Vivo
Sim-9 (30-60 mg/kg; i.p.; 1 injection/3 injections) improves pancreatic edema and the levels of inflammatory markers in a mouse model of acute pancreatitis[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:C57BL/6J mice (8-week-old male, 0.022-0.024 kg, sepsis induced via cecal ligation and puncture)[1]
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Dosage:30 mg/kg; 60 mg/kg
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Administration:i.p.; single injection 2 hours pre-surgery
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Result:Reduced CLP-induced sepsis mortality to 60% and 80% respectively.
Significantly improved the survival rate.
Inhibited systemic inflammatory responses and ameliorated IRF3-mediated inflammatory injuries in kidney and lung tissues.
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Animal Model:C57BL/6J mice (8-week-old male, 0.022-0.024 kg, acute pancreatitis induced by Caerulein (HY-A0190) )[1]
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Dosage:30 mg/kg; 60 mg/kg
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Administration:i.p.; 1 injection 1 hour pre-first cerulein injection (acute phase); 3 total injections: 1 hour pre-first cerulein, 24 hours post-first cerulein, 48 hours post-first cerulein (recovery phase)
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Result:Significantly reduced pancreatic edema, pancreatic weight, and serum amylase and lipase levels in acute phase with both doses.
Improved pancreatic histology (reduced acinar cell edema, necrosis, and immune cell infiltration) in acute phase with both doses.
Significantly reduced serum amylase and lipase levels in recovery phase with both doses.
Improved pancreatic histology (reduced acinar cell necrosis and acinar-to-ductal metaplasia) in recovery phase with both doses.
Reduced p-IRF3 staining in pancreatic tissues in recovery phase with both doses.
Reduced CD11b-IRF7 colocalization in pancreatic tissues in recovery phase with both doses.
Chemical Information
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No. CAS 3099101-40-0
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Appearance Solid
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Peso molecular 567.55
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Fòrmula C31H28F3NO6
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Color White to off-white
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SMILES
O=C(C1=CC=C(C2=CC=C(C=C2)C(F)(F)F)O1)OC3=C4[C@]56[C@@](C=C(C(C6)=O)OC)([H])[C@](N(CC5)C)([H])CC4=CC=C3OC
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
In Vitro:
DMSO : ≥ 100 mg/mL (176.20 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
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 (4.40 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 (4.40 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.
Pureza y Documentación
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Ficha de datos (282 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Instrucciones de manejo (2659 KB)
Referencias
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 |
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| DMSO | 1 mM | 1.7620 mL | 8.8098 mL | 17.6196 mL | 44.0490 mL |
| 5 mM | 0.3524 mL | 1.7620 mL | 3.5239 mL | 8.8098 mL | |
| 10 mM | 0.1762 mL | 0.8810 mL | 1.7620 mL | 4.4049 mL | |
| 15 mM | 0.1175 mL | 0.5873 mL | 1.1746 mL | 2.9366 mL | |
| 20 mM | 0.0881 mL | 0.4405 mL | 0.8810 mL | 2.2024 mL | |
| 25 mM | 0.0705 mL | 0.3524 mL | 0.7048 mL | 1.7620 mL | |
| 30 mM | 0.0587 mL | 0.2937 mL | 0.5873 mL | 1.4683 mL | |
| 40 mM | 0.0440 mL | 0.2202 mL | 0.4405 mL | 1.1012 mL | |
| 50 mM | 0.0352 mL | 0.1762 mL | 0.3524 mL | 0.8810 mL | |
| 60 mM | 0.0294 mL | 0.1468 mL | 0.2937 mL | 0.7341 mL | |
| 80 mM | 0.0220 mL | 0.1101 mL | 0.2202 mL | 0.5506 mL | |
| 100 mM | 0.0176 mL | 0.0881 mL | 0.1762 mL | 0.4405 mL |
Sim-9 Related Classifications
HY-181526 Related Classifications
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