| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
hCAII-IN-8 specifically targets human carbonic anhydrase II (hCAII), a zinc-containing metalloenzyme that catalyzes the reversible hydration of carbon dioxide to bicarbonate and protons. Carbonic anhydrases are ubiquitously expressed enzymes that regulate acid-base balance, fluid secretion, and electrolyte transport across diverse tissues. The compound demonstrates high selectivity for the hCAII isoform, with an IC50 value of 0.18 μM. This isoform selectivity is particularly important because the carbonic anhydrase family comprises multiple isoforms with distinct tissue distributions and physiological functions. By specifically inhibiting hCAII, the compound can modulate pH regulation and ion transport in target tissues while potentially minimizing off-target effects on other carbonic anhydrase isoforms. The molecular basis of this selectivity is attributed to the compound's amide structure, which allows for specific interactions with residues in the hCAII active site.
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| ln Vitro |
hCAII-IN-8 (Compound 9) at 100 μM for 24 to 48 hours does not cause any harm to HEK-293 T cells, and when compared to the control, the cell viability is more than 90% [1].
hCAII-IN-8 exhibits potent in vitro inhibitory activity against human carbonic anhydrase II with an IC50 value of 0.18 μM. This level of potency indicates that the compound effectively competes with the natural substrate for binding to the enzyme's active site zinc ion. The compound's selectivity profile suggests that it can discriminate between different carbonic anhydrase isoforms, which is a desirable property for minimizing off-target effects in experimental settings. In cytotoxicity assessments, hCAII-IN-8 (compound 9) at a concentration of 100 μM for 24 to 48 hours demonstrates no cytotoxic effects on HEK-293 T cells, with cell viability exceeding 90% compared to control groups. This favorable safety profile in non-target cells supports its utility as a research tool for studying hCAII biology. |
| ln Vivo |
In vivo activity data for hCAII-IN-8 is limited in publicly available sources, as the compound is primarily utilized as a research tool for in vitro studies of carbonic anhydrase inhibition. Based on the compound's mechanism of action as a potent hCAII inhibitor with an IC50 of 0.18 μM, it is expected to modulate pH balance, fluid transport, and electrolyte homeostasis in vivo when administered to animal models. The compound's favorable in vitro safety profile, with no cytotoxicity observed in HEK-293 T cells at concentrations up to 100 μM, suggests potential tolerability in vivo. However, specific pharmacokinetic and efficacy data from animal models have not been published. Researchers typically use hCAII-IN-8 for biochemical and cellular investigations rather than for in vivo efficacy studies, given its role as a tool compound for target validation.
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| Enzyme Assay |
hCAII-IN-8 (hCA II inhibitor, compound 9) enzymatic activity is assessed using standard carbonic anhydrase inhibition assays. The assay typically employs purified recombinant human carbonic anhydrase II enzyme incubated with a suitable substrate such as 4-nitrophenyl acetate (esterase activity) or in a CO2 hydration assay monitored by stopped-flow spectrophotometry. Varying concentrations of the test compound are added to the enzyme-substrate mixture, and the enzymatic activity is measured by monitoring the rate of product formation. The concentration of compound required to inhibit 50% of the enzyme activity (IC50) is calculated from dose-response curves generated by plotting percent inhibition versus compound concentration. Control reactions are performed without inhibitor to establish baseline enzymatic activity, and reference inhibitors may be used as positive controls to validate assay performance.
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| Cell Assay |
Cellular assays for hCAII-IN-8 typically involve treating cultured mammalian cells with the compound to assess cytotoxicity and cellular effects. HEK-293 T cells are commonly used as a model system, where cells are cultured in appropriate growth medium and treated with hCAII-IN-8 at concentrations up to 100 μM for 24 to 48 hours. After treatment, cell viability is assessed using standard colorimetric assays such as MTT, CCK-8, or CellTiter-Glo, which measure metabolic activity as an indicator of cell health. The compound demonstrates no cytotoxic effects under these conditions, with cell viability exceeding 90% compared to untreated control cells. For functional studies, cells can be treated with hCAII-IN-8 and then assessed for changes in pH regulation, bicarbonate transport, or other hCAII-dependent physiological processes using appropriate biochemical or imaging techniques.
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| Animal Protocol |
In vivo animal studies for hCAII-IN-8 have not been extensively documented in publicly available literature, as the compound is primarily used as an in vitro research tool. For compounds in this class, typical in vivo experimental designs would involve administration to rodent models via intraperitoneal (i.p.) injection or oral gavage, with formulation in suitable vehicles such as DMSO, PEG-based solutions, or saline suspensions. Pharmacodynamic endpoints would include assessment of carbonic anhydrase activity in target tissues, measurement of pH and bicarbonate levels in blood or tissue samples, and evaluation of disease-relevant outcomes in models of conditions such as glaucoma, edema, or cancer. Pharmacokinetic sampling would involve collecting blood and tissue samples at serial time points post-administration for LC-MS/MS analysis to determine compound exposure and tissue distribution.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of hCAII-IN-8 have not been comprehensively characterized in the published literature. Based on its physicochemical properties (molecular weight 336.36, molecular formula C15H16N2O5S), the compound is expected to have moderate lipophilicity and may be suitable for formulation in DMSO-based vehicles for in vitro and potentially in vivo applications. The compound is soluble in DMSO at concentrations up to 125 mg/mL, facilitating preparation of stock solutions for experimental use. For in vivo administration, the compound would typically be formulated using vehicles such as DMSO, PEG300, Tween 80, and saline, with sonication recommended to achieve complete dissolution. Storage recommendations include 4°C with protection from light, and -80°C for 6 months or -20°C for 1 month when dissolved in solvent.
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| Toxicity/Toxicokinetics |
hCAII-IN-8 is intended for research use only and is not approved for human therapeutic applications. The compound demonstrates a favorable in vitro safety profile, with no observed cytotoxicity in HEK-293 T cells at concentrations up to 100 μM. Cell viability remains above 90% compared to control groups, indicating that the compound does not cause non-specific cellular toxicity at concentrations far exceeding its IC50 for hCAII inhibition. However, comprehensive toxicological evaluations, including acute and repeat-dose toxicity studies in animal models, have not been reported. Standard safety pharmacology assessments would be required to evaluate potential effects on cardiovascular, respiratory, and central nervous system function if the compound were to be considered for therapeutic development.
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| References | |
| Additional Infomation |
hCAII-IN-8 is exclusively a research-grade compound used for laboratory investigations of carbonic anhydrase biology. The compound, also known as compound CDy9, has an IC50 value of 0.18 μM against hCA II and is available with purity ≥95-99.73%. It is soluble in DMSO at 27.5 mg/mL (81.76 mM). Carbonic anhydrase II is a well-validated therapeutic target for conditions including glaucoma (where CA inhibitors reduce intraocular pressure), epilepsy, and certain cancers. hCAII-IN-8 serves as a valuable tool for studying the structure-activity relationships of carbonic anhydrase inhibitors and for validating hCAII as a therapeutic target. The compound's high selectivity and favorable cytotoxicity profile make it particularly useful for distinguishing hCAII-mediated effects from those of other carbonic anhydrase isoforms in experimental settings.
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| Molecular Formula |
C15H16N2O5S
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| Molecular Weight |
336.36
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| Exact Mass |
336.08
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| Elemental Analysis |
C, 53.56; H, 4.79; N, 8.33; O, 23.78; S, 9.53
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| CAS # |
952306-80-8
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| PubChem CID |
24855629
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| Appearance |
White to off-white solid powder
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| LogP |
1.3
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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 |
5
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| Heavy Atom Count |
23
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| Complexity |
505
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C1C=CC(OC)=C(OC)C=1)(=O)NC1C=CC=C(S(=O)(=O)N)C=1
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| InChi Key |
NXXHQVMWOQRKGC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H16N2O5S/c1-21-13-7-6-10(8-14(13)22-2)15(18)17-11-4-3-5-12(9-11)23(16,19)20/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
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| Chemical Name |
3,4-dimethoxy-N-(3-sulfamoylphenyl)benzamide
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| Synonyms |
HCAII-IN-8; SCHEMBL14372338; CS-0635180
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~371.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.18 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.18 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9730 mL | 14.8650 mL | 29.7301 mL | |
| 5 mM | 0.5946 mL | 2.9730 mL | 5.9460 mL | |
| 10 mM | 0.2973 mL | 1.4865 mL | 2.9730 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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