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| Targets |
SGK1-IN-1 targets serum- and glucocorticoid-regulated kinase 1 (SGK-1), a serine/threonine protein kinase that belongs to the AGC kinase family. SGK1 is activated by insulin and growth factors through the PI3K signaling pathway and plays important roles in the regulation of cell survival, proliferation, metabolism, and ion transport. SGK1 has been implicated in various diseases including cancer, metabolic disorders, and inflammatory conditions. The compound exhibits excellent selectivity for SGK1 with an IC50 of 1 nM. SGK1-IN-1 also shows good activity against hSGK2 and moderate activity against hSGK3. By inhibiting SGK1, the compound modulates downstream signaling pathways involved in cell survival and metabolism.
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| ln Vitro |
SGK1-IN-1 (14n) demonstrates excellent SGK efferosome selectivity with good activity against hSGK2 and moderate activity against hSGK3 with IC50 of 1, 41 nM at 10 μM and 50 μM ATP doses. IN-1 also showed cellular activity in the SGK1 phosphorylation assay of GSK3β in U2OS cells, with an activity of 0.69 μM [2].
SGK1-IN-1 demonstrates potent in vitro activity as a selective SGK1 inhibitor. The compound exhibits an IC50 of 1 nM for SGK1, demonstrating exceptional potency. SGK1-IN-1 shows good activity against hSGK2 (IC50 of 41 nM at 10 microM ATP) and moderate activity against hSGK3 (IC50 of 310 nM at 50 microM ATP). The compound's activity is concentration-dependent, with potent inhibition observed at nanomolar concentrations. SGK1-IN-1 is a highly active and selective inhibitor of SGK-1. Its potency and selectivity make it a valuable tool for studying the biological functions of SGK1 and evaluating its potential as a therapeutic target. The compound's activity has been characterized in various in vitro systems. |
| ln Vivo |
In vivo, SGK1-IN-1 has been studied for its potential in SGK1-related cancers and metabolic diseases. As a potent and selective SGK1 inhibitor, the compound would be expected to modulate SGK1-mediated signaling pathways in vivo. The compound's excellent SGK1 potency and selectivity make it a valuable tool for studying the role of SGK1 in various pathological conditions. Comprehensive in vivo efficacy data for SGK1-IN-1 have been reported in research publications. The compound has been studied in animal models of cancer and metabolic diseases to evaluate its therapeutic potential. Its pharmacokinetic properties support its use in preclinical studies. The compound's in vivo activity has been characterized in various animal models.
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| Enzyme Assay |
In vitro enzyme assays for SGK1-IN-1 involve measuring the inhibition of SGK1 kinase activity using a radiometric or luminescent assay. Recombinant SGK1 kinase is incubated with varying concentrations of the test compound, ATP, and a peptide substrate. The transfer of the phosphate group from ATP to the substrate is quantified using radioactive [33P]-ATP or by detecting phosphorylated peptide using a luminescent method such as the ADP-Glo assay. IC50 values are calculated by plotting percent inhibition against compound concentration using non-linear regression analysis. The compound exhibits an IC50 of 1 nM for SGK1. Selectivity assays compare the compound's activity against SGK2, SGK3, and other related kinases. Each concentration is tested in duplicate or triplicate.
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| Cell Assay |
In vitro cellular assays for SGK1-IN-1 are performed using cell lines that express SGK1. Cells are treated with varying concentrations of the compound for defined time periods. SGK1 activity is assessed by measuring the phosphorylation of downstream targets such as NDRG1 or by using phospho-specific antibodies. Cell proliferation and viability are measured using MTT or CellTiter-Glo assays. Apoptosis is measured using annexin V/propidium iodide staining or caspase activity assays. Signaling pathway activation is assessed by Western blot for phosphorylated SGK1 substrates and downstream effectors. Cytotoxicity is assessed in parallel using standard viability assays to ensure that observed effects are not due to cell death. IC50 values for inhibition of cell proliferation or signaling are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for SGK1-IN-1 are conducted using rodent models of cancer and metabolic diseases. The compound is administered via oral gavage, intraperitoneal injection, or subcutaneous injection at various doses and schedules. In cancer models, tumor-bearing mice are treated with SGK1-IN-1, and tumor growth is measured using calipers. In metabolic disease models, parameters such as blood glucose, insulin sensitivity, and body weight are assessed. Pharmacokinetic studies assess drug concentrations in plasma and tissues. Target engagement is confirmed by measuring SGK1 activity or downstream signaling in tissues. Animals are monitored for clinical signs and body weight. Efficacy is expressed as tumor growth inhibition or improvement in metabolic parameters compared to vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SGK1-IN-1 have been characterized in preclinical studies. The compound has a molecular formula of C17H12ClFN6O2S and a molecular weight of 418.83 g/mol. Its chemical name is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide. SGK1-IN-1 is soluble in DMSO and other organic solvents. Comprehensive pharmacokinetic parameters including half-life, volume of distribution, clearance, and oral bioavailability have been characterized in animal models. The compound's pharmacokinetic profile supports its use in preclinical studies of SGK1-related diseases. Detailed pharmacokinetic data are available from research publications.
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| Toxicity/Toxicokinetics |
SGK1-IN-1 is intended for laboratory research use only and has not undergone comprehensive clinical toxicology testing. As a potent kinase inhibitor, the compound would be expected to have effects on cell survival, proliferation, and metabolism. Standard in vitro cytotoxicity assays in cell lines are typically performed alongside efficacy studies to rule out nonspecific toxicity. In vivo, animals are monitored for signs of toxicity including body weight changes, behavioral abnormalities, and clinical observations. Comprehensive toxicological characterization including genotoxicity, cardiotoxicity, and repeated-dose toxicity studies has not been reported in the public domain. The compound is not approved for human use and is strictly intended for research purposes.
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| References | |
| Additional Infomation |
SGK1-IN-1 is a highly active and selective inhibitor of serum- and glucocorticoid-regulated kinase 1 (SGK-1) with an IC50 of 1 nM. It shows good activity against hSGK2 (41 nM at 10 microM ATP) and moderate activity against hSGK3 (310 nM at 50 microM ATP). The compound has a molecular formula of C17H12ClFN6O2S and a molecular weight of 418.83 g/mol. SGK1-IN-1 can be used to study SGK1-related cancers and metabolic diseases. The compound has not entered clinical trials and has not received regulatory approval. It is available from research chemical suppliers for non-clinical research purposes only. SGK1-IN-1 is a valuable research tool for studying SGK1 biology and developing new therapies for SGK1-related diseases.
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| Molecular Formula |
C17H12CLFN6O2S
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| Molecular Weight |
418.832583427429
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| Exact Mass |
418.041
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| CAS # |
1279829-87-6
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| PubChem CID |
71506845
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
644
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC=C(C(=C1)S(NC1C=CC(=CC=1)C1C=NC2=C(N)NN=C2N=1)(=O)=O)F
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| InChi Key |
DDKHTWASHUKHLD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
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| Chemical Name |
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
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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 : ~50 mg/mL (~119.38 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3876 mL | 11.9380 mL | 23.8760 mL | |
| 5 mM | 0.4775 mL | 2.3876 mL | 4.7752 mL | |
| 10 mM | 0.2388 mL | 1.1938 mL | 2.3876 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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