ITGB3-IN-1
Based on 1 Customer Validation
ITGB3-IN-1 is an orally active integrin subunit beta 3 ITGB3 inhibitor with a Kd of 7.26 μM. ITGB3-IN-1 exhibits potent anti-orthopoxvirus effects with an EC50 for vaccinia virus (VACV) of 1.82 μM. ITGB3-IN-1 inhibits hERG with an IC50 of 1.13 μM. ITGB3-IN-1 can be used for the study of orthopoxvirus.
For research use only. We do not sell to patients.
- Purity: 98.69%
- CAS No.: 3113762-21-0
- Formula: C23H27NO5
- Molecular Weight:397.46
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Anti-Infection Compound Library
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Immunology/Inflammation Compound Library
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Membrane Transporter/Ion Channel Compound Library
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Antiviral Compound Library
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Cytoskeleton Compound Library
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Orally Active Compound Library
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Anti-Alzheimer's Disease Compound Library
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Neurodegenerative Disease-related Compound Library
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Potassium Channel Compound Library
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Anti-Orthopoxvirus Compound Library
HY-L127
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Membrane Protein-targeted Compound Library
HY-L149
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Membrane Receptor-targeted Compound Library
HY-L150
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Ion Channel Compound Library
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Extracellular Vesicles (EVs) Compound Library
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Multi-Target Compound Library
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Bioactive Compound Library Max
HY-L181
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MCE Bioactive Compound Library
HY-L001V
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Bioactive Compound Library
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High-Throughput Bioactive Compound Library
HY-L205
Biological Activity
ITGB3-IN-1 (Compound 6) has low cytotoxicity (CC50 = 400 μM) and high therapeutic index (219.78) against VACV in Vero cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| Species | Dose | Route | Tmax | Cmax | AUC0-t | AUC0-∞ | T1/2 |
|---|---|---|---|---|---|---|---|
| Mice[1] | 90 mg/kg | p.o. | 0.33 h | 25800 ng/mL | 40920 ng·h/mL | 41725 ng·h/mL | 2.93 h |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:VACV infection model established in female, 4-week-old nude mice[1]
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Dosage:45 and 90 mg/kg
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Administration:Gavage administration (i.g.), once a day for a total of five doses
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Result:Reached the inhibition rate by 88.6% at a dose of 90 mg/kg. Effectively protected the liver and spleen of mice from viral-induced pathological damage. Observed no significant toxicity and the mice's weight remained stable.
Chemical Information
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CAS No. 3113762-21-0
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Appearance Solid
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Molecular Weight 397.46
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Formula C23H27NO5
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Color White to off-white
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SMILES
COC1=CC=C(C=C1OC)/C=C/C(NC2=C(C=CC=C2)C(OCCC(C)C)=O)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (251.60 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)
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: ≥ 5 mg/mL (12.58 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.
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.
Purity & Documentation
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Data Sheet (272 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
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 | 2.5160 mL | 12.5799 mL | 25.1598 mL | 62.8994 mL |
| 5 mM | 0.5032 mL | 2.5160 mL | 5.0320 mL | 12.5799 mL | |
| 10 mM | 0.2516 mL | 1.2580 mL | 2.5160 mL | 6.2899 mL | |
| 15 mM | 0.1677 mL | 0.8387 mL | 1.6773 mL | 4.1933 mL | |
| 20 mM | 0.1258 mL | 0.6290 mL | 1.2580 mL | 3.1450 mL | |
| 25 mM | 0.1006 mL | 0.5032 mL | 1.0064 mL | 2.5160 mL | |
| 30 mM | 0.0839 mL | 0.4193 mL | 0.8387 mL | 2.0966 mL | |
| 40 mM | 0.0629 mL | 0.3145 mL | 0.6290 mL | 1.5725 mL | |
| 50 mM | 0.0503 mL | 0.2516 mL | 0.5032 mL | 1.2580 mL | |
| 60 mM | 0.0419 mL | 0.2097 mL | 0.4193 mL | 1.0483 mL | |
| 80 mM | 0.0314 mL | 0.1572 mL | 0.3145 mL | 0.7862 mL | |
| 100 mM | 0.0252 mL | 0.1258 mL | 0.2516 mL | 0.6290 mL |
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