| 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 |
hCA II (Ki: 4.9 nM), hCA VII (Ki: 6.5 nM), hCA I (Ki: 220 nM), hCA XII (Ki: >50,000 nM)
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|---|---|
| ln Vitro |
hCAI/II-IN-6 (0-50 μM) suppresses the activity of hCA I, hCA II, hCA VII, and hCA XII with Ki values of 220, 4.9, 6.5, and ≤50000 nM, respectively[1].
In vitro, hCAI/II-IN-6 selectively inhibits human carbonic anhydrase isoforms. It inhibits hCA II with a Ki of 4.9 nM and hCA VII with a Ki of 6.5 nM. It is much less active against hCA I (Ki 220 nM) and inactive against hCA XII (Ki >50,000 nM). This selectivity profile makes it a research tool for studying the role of CA II and CA VII in physiology and disease, particularly epilepsy. |
| ln Vivo |
In vivo, hCAI/II-IN-6 (30-100 mg/kg; intraperitoneally) exhibits a good anticonvulsant effect[1]. In vivo anti-MES activity of hCAI/II-IN-6 (30 mg/kg; po once) has been reported[1].
In vivo, hCAI/II-IN-6 shows anticonvulsant activity and anti-maximal electroshock (MES) activity. It provides seizure attenuation and good anticonvulsant effect with an ED50 of 13.7 mg/kg in an anticonvulsant quantification study (administered i.p. at 30-100 mg/kg in Swiss albino mice). This indicates its potential for the research of epilepsy. The compound is orally active. |
| Enzyme Assay |
Recombinant human carbonic anhydrase isozymes (hCA I, hCA II, hCA VII, hCA XII) are expressed in E. coli and purified. The CA activity assay measures the esterase activity of CA using 4-nitrophenyl acetate (NPA) as substrate, or the CO2 hydration activity using a stopped-flow pH indicator method. For NPA: the reaction mixture contains Tris-SO4 buffer (pH 7.4), NPA (0.8 mM), and varying concentrations of hCAI/II-IN-6. The change in absorbance at 348 nm is monitored for 5-10 minutes. Ki values are calculated using Dixon plots (non-linear regression). For CO2 hydration: the reaction is monitored by the change in pH of a buffer (e.g., phenol red) as CO2 is hydrated to H2CO3. Ki values are determined from dose-response curves.
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| Cell Assay |
Human cancer cell lines expressing CA isoforms (e.g., CA II in glioblastoma, CA VII in neuroblastoma) can be used. Cells are cultured in RPMI-1640 or DMEM with 10% FBS. Cells are treated with hCAI/II-IN-6 (1-100 uM) for 24-72 hours. Cell viability is assessed by MTT. Cellular CA activity is measured by a CO2 hydration assay on cell lysates. For selectivity studies, the compound should show preferential inhibition of CA II/CA VII. For apoptosis studies, caspase-3/7 activity can be measured. However, the primary use is as an in vivo anticonvulsant.
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| Animal Protocol |
Animal/Disease Models: Swiss albino mice[1]
Doses: 30 and 100 mg/kg Route of Administration: intraperitoneal (ip) injection; 30-100 mg/kg once Experimental Results: Provided seizure attenuation and good anticonvulsant effect, and demonstrated an ED50 of 13.7mg /kg in anticonvulsant quantification study. Animal/Disease Models: Wistar albino rats[1] Doses: 30 mg/kg Route of Administration: Oral gavage; 30 mg/kg once Experimental Results: demonstrated anti-MES activity and significant protection from seizures up to 1h of drug administration and action was gone decreased after 1h. In vivo studies are conducted in male Swiss albino mice (25-30 g). hCAI/II-IN-6 is formulated in a suitable vehicle (e.g., 0.5% methylcellulose or 10% DMSO in saline) and administered intraperitoneally (i.p.) at doses of 30, 50, 70, and 100 mg/kg. The maximal electroshock seizure (MES) test: mice are administered a 60 Hz alternating current (50 mA) through corneal electrodes for 0.2 seconds; the abolition of the hindlimb tonic extensor component is recorded as protection. The ED50 is calculated as 13.7 mg/kg. Seizure attenuation is observed in the treated groups. |
| ADME/Pharmacokinetics |
No specific PK data for hCAI/II-IN-6. The compound is described as "orally active," so it has some oral bioavailability. PK parameters (Cmax, Tmax, AUC, half-life) are not publicly available. It has a molecular weight of 388.48 and a LogP likely around 2-3. Solubility: DMSO (20-50 mg/mL). Formulation for oral dosing would involve PEG400, Tween80, or methylcellulose suspensions.
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| Toxicity/Toxicokinetics |
No specific toxicity data for hCAI/II-IN-6 reported. As a carbonic anhydrase inhibitor, the primary on-target toxicity is related to metabolic acidosis due to inhibition of CA in the kidney. Selective inhibitors of CA II and VII may have a better safety profile compared to non-selective CA inhibitors (e.g., acetazolamide). Common side effects of CA inhibitors include paresthesia (tingling), altered taste, diuresis, and fatigue. Anticonvulsant ED50 is 13.7 mg/kg, suggesting a therapeutic window exists. For research use, handle with standard precautions.
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| References | |
| Additional Infomation |
hCAI/II-IN-6 (CAS: 694466-00-7) is a selective human carbonic anhydrase inhibitor with oral activity and anticonvulsant properties. It is a research tool for studying epilepsy and other conditions where CA II and CA VII are implicated (e.g., glaucoma, edema, altitude sickness). The compound is part of a class of sulfonamide-based CA inhibitors. It is not approved for clinical use. Molecular formula: C19H24N4O3S, MW 388.48. References: Thiry A, et al. (2006).
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| Molecular Formula |
C19H24N4O3S
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|---|---|
| Molecular Weight |
388.483862876892
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| Exact Mass |
388.156
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| CAS # |
694466-00-7
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| PubChem CID |
2196398
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
570
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(CC(NC2=CC=C(S(N)(=O)=O)C=C2)=O)CCN(CC2=CC=CC=C2)CC1
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| InChi Key |
VMBFFHZLNCWIEC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26)
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| Chemical Name |
2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
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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: 250 mg/mL (643.53 mM)
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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 | 2.5741 mL | 12.8707 mL | 25.7414 mL | |
| 5 mM | 0.5148 mL | 2.5741 mL | 5.1483 mL | |
| 10 mM | 0.2574 mL | 1.2871 mL | 2.5741 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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