| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
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| Targets |
CAIX Inhibitor S4 targets carbonic anhydrase IX (CAIX) and XII (CAXII). It has Ki values of 7 nM for CAIX and 2 nM for CAXII. It also inhibits CA II (Ki = 546 nM) and CA I (Ki = 5600 nM). This selectivity profile makes it a valuable tool for studying CAIX and CAXII in cancer.
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| ln Vitro |
In a dose-dependent way, CAIX Inhibitor S4 (1-100 μM; 24 h) reduces the growth of MDA-MB-231, HCT116, and HT29 cells [1]. Under hypoxic conditions, eGFP-MDA-MB-231 cell migration is inhibited in a concentration-dependent manner by CAIX Inhibitor S4 (3.3-33 μM; 24 h) [1]. Under hypoxic conditions, CAIX Inhibitor S4 (33 μM; 15-60 min) decreases the spreading of MDA-MB-231 cells; however, under normoxic conditions, there is minimal delay [1].
In vitro, CAIX Inhibitor S4 is a potent CAIX/CAXII inhibitor with Ki values of 7 nM and 2 nM, respectively. It shows excellent selectivity for CAIX/XII over CA I and CA II. This selectivity is important for minimizing off-target effects in research applications. |
| ln Vivo |
CAIX Inhibitor S4 (10 mg/kg; i.p. for 14 days) inhibits metastatic tumor burden in the MDA-MB-231 model without affecting primary tumor growth or mouse condition [1].
In vivo, CAIX Inhibitor S4 (10 mg/kg; i.p. for 14 days) has been evaluated in preclinical models. It has been studied in colorectal carcinoma cell lines. Further studies would be required to fully characterize its in vivo efficacy and pharmacokinetics. |
| Enzyme Assay |
CA activity is measured using esterase or CO2 hydration assays. Recombinant CA isoforms are incubated with a substrate in the presence of CAIX Inhibitor S4 at varying concentrations, and Ki values are calculated.
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| Cell Assay |
Cell proliferation assay[1]
Cell Types: MDA-MB-231, HCT116 and HT29 Cell Tested Concentrations: 1, 10, 100 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibition of cell proliferation of MDA-MB-231, HCT116 and HT29 cells, IC50 481 μM, >1000 μM and 20 μM respectively. Cellular activity of CAIX Inhibitor S4 is evaluated in CAIX-expressing cancer cell lines, including colorectal carcinoma cells. Cells are treated with the compound, and CAIX activity or downstream effects are measured. |
| Animal Protocol |
Animal/Disease Models: Female nu/nu CBA mice (10-12 weeks) are injected with eGFP-MDA-MB-231 cells [1]
Doses: 10 mg/kg Route of Administration: intraperitoneal (ip) injection every day, "5 days, 2 days off" Results of the 14-day dosing regimen: Dramatically diminished metastatic tumor burden in the lungs of mice bearing orthotopic eGFP-MDA-MB-231 tumors. Average body weights were similar between vehicle and S4-treated mice throughout the experiments. In vivo efficacy of CAIX Inhibitor S4 is evaluated in mouse models of cancer. Tumor-bearing mice are administered the compound intraperitoneally, and tumor growth or hypoxia markers are assessed. |
| ADME/Pharmacokinetics |
CAIX Inhibitor S4 has a molecular formula of C15H17N3O4S and a molecular weight of 335.38. Its chemical name is 4-(3-(3,5-dimethylphenyl)ureido)phenyl sulfamate. It is stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
Toxicological data for CAIX Inhibitor S4 are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
CAIX Inhibitor S4 (S4) is a potent and selective inhibitor of carbonic anhydrase IX and XII. It is a valuable tool for studying the role of CAIX in tumor biology and hypoxia. Its selectivity for CAIX/XII over other CA isoforms makes it a useful probe for cancer research.
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| Molecular Formula |
C15H17N3O4S
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|---|---|
| Molecular Weight |
335.378
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| Exact Mass |
335.093
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| Elemental Analysis |
C, 53.72; H, 5.11; N, 12.53; O, 19.08; S, 9.56
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| CAS # |
1330061-67-0
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| PubChem CID |
53342705
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.663
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| LogP |
2.51
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
23
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| Complexity |
487
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(N)(=O)(=O)OC1C=CC(=CC=1)NC(NC1C=C(C)C=C(C)C=1)=O
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| InChi Key |
HGVHSNXRZYOTPD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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| Chemical Name |
4-(3-(3,5-dimethylphenyl)ureido)phenyl sulfamate
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| Synonyms |
CAIX Inhibitor S4
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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 (~745.42 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 | 2.9817 mL | 14.9085 mL | 29.8169 mL | |
| 5 mM | 0.5963 mL | 2.9817 mL | 5.9634 mL | |
| 10 mM | 0.2982 mL | 1.4908 mL | 2.9817 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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