| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
- IFN alpha-IFNAR-IN-1 hydrochloride targets Interferon-alpha (IFN-α) and Interferon alpha-beta receptor (IFNAR), acting as an inhibitor of their protein-protein interaction [1]
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|---|---|
| ln Vitro |
BMpDC-induced MVA IFN-α response is specifically inhibited by IFN α-IFNAR-IN-1 (compound 1) (18 μM; 24 hours) [1].
- IFN alpha-IFNAR-IN-1 hydrochloride is an immunosuppressive small molecule identified through structure-based virtual screening. It specifically inhibits the protein-protein interaction between IFN-α and IFNAR, thereby interfering with the IFN-α/IFNAR signaling pathway related to immune regulation (detailed functional outcomes not specified in the literature) [1] |
| Enzyme Assay |
- Structure-based virtual screening assay: A small molecule library was screened using computer simulation technology based on the tertiary structure of the IFN-α/IFNAR interaction interface. Compounds with potential binding ability to the interaction site were selected to identify candidates that could inhibit the protein-protein interaction [1]
- Surface Plasmon Resonance (SPR) assay: The binding affinity between IFN alpha-IFNAR-IN-1 hydrochloride and IFN-α or IFNAR was detected by SPR technology. The interaction between the compound and the target proteins was analyzed to verify its ability to interfere with the binding of IFN-α to IFNAR [1] - X-Ray Crystallography assay: The crystal structure of the complex formed by IFN alpha-IFNAR-IN-1 hydrochloride with IFN-α or IFNAR was determined using X-ray crystallography. This helped clarify the binding mode and key hydrogen bonding interactions between the compound and the target proteins at the atomic level [1] - Magnetic Resonance Spectroscopy assay: Magnetic resonance spectroscopy was used to analyze the interaction between IFN alpha-IFNAR-IN-1 hydrochloride and IFN-α/IFNAR, providing supplementary information on the binding characteristics and structural changes during the interaction [1] |
| References | |
| Additional Infomation |
IFNα-IFNAR-IN-1 hydrochloride is a small molecule inhibitor discovered through structure-based virtual screening. Its core mechanism is to inhibit the protein-protein interaction between IFN-α and IFNAR[1]
- As an immunosuppressant, it has the potential to regulate IFN-α/IFNAR-mediated immune-related signaling pathways, laying the foundation for further research on immune-related diseases[1] |
| Molecular Formula |
C18H18CLNS
|
|---|---|
| Molecular Weight |
315.86022233963
|
| Exact Mass |
315.084
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| CAS # |
2070014-98-9
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| Related CAS # |
IFN alpha-IFNAR-IN-1;844882-93-5
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| PubChem CID |
72193873
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
21
|
| Complexity |
293
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
Cl.S(C1C=CC=CC=1CNC)C1=CC=CC2C=CC=CC1=2
|
| InChi Key |
QTESJCPDPNGOLF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H17NS.ClH/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18;/h2-12,19H,13H2,1H3;1H
|
| Chemical Name |
N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~316.60 mM)
H2O : ~16.67 mg/mL (~52.78 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.59 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.59 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.59 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1660 mL | 15.8298 mL | 31.6596 mL | |
| 5 mM | 0.6332 mL | 3.1660 mL | 6.3319 mL | |
| 10 mM | 0.3166 mL | 1.5830 mL | 3.1660 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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