| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| Other Sizes |
| Targets |
2-Hydroxy-4-methylbenzenesulphonic acid ammonium is an impurity of Policresulen, which is a potent NS2B/NS3 protease inhibitor. NS2B/NS3 protease is a validated drug target for flaviviruses such as dengue virus. By inhibiting this protease, Policresulen disrupts viral polyprotein processing and replication. The compound itself may not have a specific target but is related to this active agent.
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|---|---|
| ln Vitro |
In vitro, Policresulen, which contains 2-Hydroxy-4-methylbenzenesulphonic acid ammonium as an impurity, is a potent NS2B/NS3 protease inhibitor with an IC50 of 0.48 μg/mL. It effectively inhibits DENV2 virus replication in BHK-21 cells with an IC50 of 4.99 μg/mL. Its activity is typically assessed in enzyme inhibition assays and cell-based antiviral assays.
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| ln Vivo |
In vivo studies for 2-Hydroxy-4-methylbenzenesulphonic acid ammonium are not extensively detailed in the provided literature. As an impurity of Policresulen, its in vivo effects would be studied in the context of the parent compound. Policresulen is a topical hemostatic and antiseptic, suggesting its use is localized.
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| Enzyme Assay |
For non-cellular enzyme/receptor binding studies, Policresulen's activity is evaluated in NS2B/NS3 protease inhibition assays. Purified NS2B/NS3 protease is incubated with a substrate and varying concentrations of the compound. Enzyme activity is measured, and IC50 values are calculated.
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| Cell Assay |
For in vitro cellular experiments, BHK-21 cells are infected with DENV2 virus and treated with Policresulen at various concentrations. Viral replication is assessed by measuring viral RNA or protein levels. The compound's ability to inhibit virus replication is confirmed by its IC50 of 4.99 μg/mL.
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| Animal Protocol |
In vivo animal studies for 2-Hydroxy-4-methylbenzenesulphonic acid ammonium are not extensively documented. As an impurity of a topical agent, its in vivo effects are not the primary focus of research. Studies on the parent compound, Policresulen, would evaluate its safety and efficacy as a topical hemostatic and antiseptic.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-Hydroxy-4-methylbenzenesulphonic acid ammonium are not extensively detailed in the provided sources. It has a molecular weight of 205.23 and good solubility in water. As an impurity of a topical agent, its systemic absorption is likely limited. Comprehensive pharmacokinetic studies are needed to fully characterize its ADME properties.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2-Hydroxy-4-methylbenzenesulphonic acid ammonium is not explicitly detailed in the provided sources. As a chemical reagent, standard laboratory safety precautions should be followed when handling it. It is intended for research use only and is not for human therapeutic applications.
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| References | |
| Additional Infomation |
2-Hydroxy-4-methylbenzenesulphonic acid ammonium is an aromatic sulfonic acid salt with a molecular formula of C7H11NO4S. It is an impurity of Policresulen, a topical hemostatic and antiseptic that is a potent NS2B/NS3 protease inhibitor. This research compound is for laboratory use only and has not been approved for clinical applications.
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| Molecular Formula |
C7H11NO4S
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|---|---|
| Molecular Weight |
205.23
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| Exact Mass |
205.041
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| CAS # |
79093-71-3
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| PubChem CID |
3018802
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| Appearance |
White to off-white solid powder
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| Boiling Point |
444.2ºC at 760 mmHg
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| Flash Point |
222.5ºC
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| LogP |
2.352
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
13
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| Complexity |
227
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KGBVTRPJPQHXSU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H8O4S.H3N/c1-5-2-3-7(6(8)4-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3
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| Chemical Name |
azanium;2-hydroxy-4-methylbenzenesulfonate
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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)
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| Solubility (In Vitro) |
DMSO : 125 mg/mL (609.07 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (10.13 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 (10.13 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 (10.13 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 | 4.8726 mL | 24.3629 mL | 48.7258 mL | |
| 5 mM | 0.9745 mL | 4.8726 mL | 9.7452 mL | |
| 10 mM | 0.4873 mL | 2.4363 mL | 4.8726 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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