| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Ki: 28.5 nM (hCA I), 2.2 nM (hCA II)[1]
Carbonic anhydrase inhibitor 16 targets two distinct entities: the human carbonic anhydrase isoforms hCA I and hCA II, and the dengue virus protease. As a carbonic anhydrase inhibitor, it binds to the zinc ion in the active site of the enzyme, blocking its catalytic activity. Carbonic anhydrases are zinc-containing metalloenzymes that catalyze the reversible hydration of carbon dioxide to bicarbonate and a proton. They play critical roles in various physiological processes, including pH regulation, ion transport, and fluid secretion. As a dengue protease inhibitor, the compound's mechanism likely involves interfering with the viral replication cycle. The compound shows high selectivity for hCA II (Ki = 2.2 nM) over hCA I (Ki = 28.5 nM). |
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| ln Vitro |
In vitro, Carbonic anhydrase inhibitor 16 demonstrates potent inhibitory activity against human carbonic anhydrase hCA I and hCA II with Ki values of 28.5 nM and 2.2 nM, respectively. It is a dengue protease inhibitor. The compound's activity as a carbonic anhydrase inhibitor is well-characterized. Its dual activity as a carbonic anhydrase and dengue protease inhibitor makes it a valuable tool for studying these targets. The compound has potential antiviral activity and is used in research on viral infections, particularly dengue virus.
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| ln Vivo |
In vivo activity data for Carbonic anhydrase inhibitor 16 are not available in the current scientific literature. As a potent inhibitor of carbonic anhydrases and a dengue protease inhibitor, the compound would be expected to have potential for in vivo studies in models of viral infection. However, specific animal model studies, dosing regimens, and quantitative outcomes have not been reported. The compound's solubility in DMSO (80 mg/mL) may facilitate formulation for in vivo studies. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties.
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| Enzyme Assay |
In vitro enzyme assay protocols for Carbonic anhydrase inhibitor 16 typically involve measuring its inhibition of carbonic anhydrase enzymatic activity. A standard protocol would involve using purified recombinant human CA I and CA II enzymes. The enzyme is incubated with varying concentrations of the inhibitor and a substrate, such as 4-nitrophenyl acetate or CO2. The reaction rate is monitored spectrophotometrically or by a pH indicator method. The inhibition constants (Ki) are determined from the kinetic data. The compound's activity against the dengue protease can be assessed using a fluorogenic peptide substrate in a similar assay format.
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| Cell Assay |
In vitro cell-based assay protocols for Carbonic anhydrase inhibitor 16 would typically involve assessing its effects on viral replication in infected cells. A standard protocol would involve infecting susceptible cell lines with dengue virus and treating them with varying concentrations of the compound. Viral replication is quantified by measuring viral RNA levels (by qRT-PCR), viral protein expression (by Western blot), or viral titers (by plaque assay). The compound's cytotoxicity is also assessed in parallel using standard viability assays. However, specific cell-based data for this compound are not extensively reported.
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| Animal Protocol |
In vivo animal experimental protocols for Carbonic anhydrase inhibitor 16 have not been reported in the available literature. Based on its antiviral activity, potential studies might involve using mouse models of dengue virus infection. A hypothetical protocol would involve infecting mice with dengue virus and then administering the compound via intraperitoneal or oral routes at doses determined from preliminary studies. Endpoints would include viral load in blood and tissues, survival rates, and assessment of disease pathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Carbonic anhydrase inhibitor 16 have not been characterized in published studies. The compound has a molecular weight of 302.31. It is soluble in DMSO at 80 mg/mL (264.63 mM) with sonication. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's metabolism, protein binding, and routes of elimination remain to be characterized.
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| References | |
| Additional Infomation |
Carbonic anhydrase inhibitor 16 is a research-grade compound that functions as a potent and selective inhibitor of carbonic anhydrase hCA I (Ki = 28.5 nM) and hCA II (Ki = 2.2 nM). It also acts as a dengue protease inhibitor. It has potential antiviral activity and is used in research on viral infections. The compound has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves inhibition of carbonic anhydrases and potentially the dengue virus protease. The compound is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
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| Molecular Formula |
C14H10N2O4S
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|---|---|
| Molecular Weight |
302.31
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| Exact Mass |
302.036
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| CAS # |
4479-70-3
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| PubChem CID |
3586494
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| Appearance |
White to off-white solid powder
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| LogP |
2.98
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
522
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C(=CC=CC=2)C(=O)N1C1=CC=C(S(N)(=O)=O)C=C1
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| InChi Key |
OUGLLSMFRGBCIL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)
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| Chemical Name |
4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
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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 |
| 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 :~100 mg/mL (~330.79 mM; with sonication)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3079 mL | 16.5393 mL | 33.0786 mL | |
| 5 mM | 0.6616 mL | 3.3079 mL | 6.6157 mL | |
| 10 mM | 0.3308 mL | 1.6539 mL | 3.3079 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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