| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 1.6 μM (WNK1), 4.3 μM (OSR1 phosphorylation)[1]
The primary target of WNK1-IN-1 is WNK1 (With No Lysine [K] 1) kinase. WNK1-IN-1 is a selective inhibitor of WNK1 with an IC50 of 1.6 μM. It also inhibits the phosphorylation of OSR1, an endogenous substrate of WNK1, with an IC50 of 4.3 μM. By inhibiting WNK1, the compound modulates the downstream signaling pathways involved in ion transport and blood pressure regulation, making it a valuable tool for studying hypertension and cancer. |
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| ln Vitro |
WNK1-IN-1 (0-1000 μM; 30 min) exhibits a high potency at 1.6 μM for WNK1. The endogenous OSR1 phosphorylation in MDAMB231 breast cancer cells is inhibited by WNK1-IN-1 (0.2-12.5 μM; 24 h) with an IC50 value of 4.3 μM[1]. As demonstrated by the Kinase-Glo assay, WNK1-IN-1 (0-100 mM) is ten times more powerful than WNK3 to activate WNK1.
In vitro, WNK1-IN-1 inhibits WNK1 kinase activity with an IC50 of 1.6 μM. It also inhibits the phosphorylation of the endogenous substrate OSR1 in MDA-MB-231 breast cancer cells with an IC50 of 4.3 μM. The compound is typically used in biochemical and cellular assays to study WNK1-mediated signaling pathways. It is soluble in DMSO at 80 mg/mL (179.32 mM) and is often formulated for in vivo studies in 10% DMSO and 90% corn oil. |
| ln Vivo |
In vivo, WNK1-IN-1 can be used to study the role of WNK1 in blood pressure regulation and cancer. By inhibiting WNK1, the compound can modulate ion transport and potentially lower blood pressure in animal models of hypertension. Its effects on cancer are also being investigated, as WNK1 has been implicated in tumor progression. These studies help to validate WNK1 as a therapeutic target for cardiovascular and oncological diseases.
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| Enzyme Assay |
In vitro enzyme assays for WNK1-IN-1 involve measuring the inhibition of WNK1 kinase activity. The assay is typically performed using recombinant WNK1 enzyme in a suitable buffer system with ATP and a peptide substrate. The phosphorylation of the substrate is measured using radioactive or luminescent methods. The compound's IC50 value of 1.6 μM is determined by fitting concentration-response curves to the inhibition data.
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| Cell Assay |
In vitro cellular assays for WNK1-IN-1 are performed using cell lines such as MDA-MB-231 breast cancer cells. Cells are treated with the compound at varying concentrations (e.g., 0.2-12.5 μM) for a specified period (e.g., 24 hours). The inhibition of OSR1 phosphorylation, a downstream target of WNK1, is measured by Western blotting using phospho-specific antibodies. The IC50 for OSR1 phosphorylation inhibition is 4.3 μM.
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| Animal Protocol |
In vivo animal studies for WNK1-IN-1 would typically involve the administration of the compound to rodent models of hypertension or cancer. The compound can be formulated in a vehicle such as 10% DMSO and 90% corn oil and administered via oral gavage or intraperitoneal injection. Endpoints would include blood pressure measurements, analysis of electrolyte balance, or tumor growth inhibition, depending on the specific disease model being studied.
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| ADME/Pharmacokinetics |
WNK1-IN-1 is a small molecule with a molecular weight of 446.14 and is soluble in DMSO at 80 mg/mL. It is typically stored at low temperature as a powder at -20°C for up to 3 years or in solution at -80°C for up to 1 year. Detailed pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution are not fully available in the public domain but would be characteristic of a small molecule kinase inhibitor.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for WNK1-IN-1 in the available literature. As a research chemical, it is intended for laboratory use only and should be handled with standard safety precautions. It is not approved for human therapeutic use. Researchers should consult the material safety data sheet (MSDS) for detailed safety and handling information.
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| References | |
| Additional Infomation |
WNK1-IN-1 is a selective inhibitor of WNK1 kinase with an IC50 of 1.6 μM. It has a molecular formula of C13H15BrCl2N2O4S and a molecular weight of 446.14. The compound inhibits OSR1 phosphorylation with an IC50 of 4.3 μM. WNK1-IN-1 is used in research to study blood pressure regulation and cancer.
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| Molecular Formula |
C13H15N2O4SCL2BR
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|---|---|
| Molecular Weight |
446.1442
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| Exact Mass |
443.931
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| CAS # |
324022-39-1
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| PubChem CID |
15998580
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
5.5
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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 |
4
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| Heavy Atom Count |
23
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| Complexity |
529
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC(Cl)(Cl)S(C1C=CC(NC2CCCCC2)=C([N+]([O-])=O)C=1)(=O)=O
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| InChi Key |
REBZZEDLLSTDTN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H15BrCl2N2O4S/c14-13(15,16)23(21,22)10-6-7-11(12(8-10)18(19)20)17-9-4-2-1-3-5-9/h6-9,17H,1-5H2
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| Chemical Name |
4-[bromo(dichloro)methyl]sulfonyl-N-cyclohexyl-2-nitroaniline
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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 (~224.1 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.60 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: 2.5 mg/mL (5.60 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: 2.5 mg/mL (5.60 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2414 mL | 11.2072 mL | 22.4145 mL | |
| 5 mM | 0.4483 mL | 2.2414 mL | 4.4829 mL | |
| 10 mM | 0.2241 mL | 1.1207 mL | 2.2414 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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