| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C18H18F2N2O4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
EMD638683 is an orally active inhibitor of SGK1, with an IC50 of 3 μM; it inhibits SGK1 strongly, SGK2 and SGK3 moderately, and shows excellent selectivity against other AGC kinase family members. By inhibiting SGK1 it has antihypertensive activity, and independently of blood-pressure lowering it prevents hypertension-induced heart inflammation and fibrosis by inhibiting the cardiac NLRP3 inflammasome/IL-1β axis; it also promotes apoptosis of colon cancer cells and sensitizes them to radiotherapy[1][2][3]. The S-form can be used in research on hypertension, hypertensive heart damage, and colon cancer. It is supplied as an off-white to light brown solid (C18H18F2N2O4, MW 364.34) at 99.94% purity.
Physical & Chemical Properties
| CAS Number | 1181770-72-8 |
|---|---|
| Molecular Formula | C18H18F2N2O4 |
| Molecular Weight | 364.34 g/mol |
| Purity | 99.94% |
| Appearance | Solid |
| Color | Off-white to light brown |
| SMILES | CC1=C(CC)C(C(NNC(C(O)C2=CC(F)=CC(F)=C2)=O)=O)=CC=C1O |
| Target | SGK1 |
| Signaling Pathway | Metabolic Enzyme/Protease; Immunology/Inflammation; Apoptosis |
| Solubility | In Vitro: DMSO: ≥ 50 mg/mL (137.23 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) * "≥" means soluble, but saturation unknown. |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[3]
|
SGK1 3 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | ≥ 50 mg/mL (137.23 mM) | use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (6.86 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (6.86 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (6.86 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
In mouse bone marrow-derived macrophages stimulated with angiotensin II (Ang II), EMD638683 at 50 μM for 9-25 h inhibits NLRP3 inflammasome activation and IL-1β secretion by targeting NLRP3 expression[2]. At 50 μM for 25-49 h, EMD638683 blocks the transformation of primary mouse cardiac fibroblasts into myofibroblasts induced by angiotensin II, by reducing IL-1β secretion from macrophages[2]. At 50 μM for 96 h, EMD638683 enhances radiation-induced apoptotic death in Caco-2 colon cancer cells[3].
Apoptosis Analysis[3]
| Cell Line | Caco-2 cells |
|---|---|
| Concentration | 50 μM |
| Incubation Time | 24 h pre-incubation, 72 h post-radiation incubation |
| Result | Enhanced radiation-induced apoptotic cell death in Caco-2 colon carcinoma cells, including augmented cell shrinkage, mitochondrial depolarization, caspase 3 activation, phosphatidylserine exposure, and late apoptosis. |
In Vivo
In hyperinsulinemic, salt-loaded wild-type mice, EMD638683 (600 mg/kg, in a mixed diet for 4 consecutive days) normalizes systolic blood pressure, lowering it from 111 mmHg to 87 mmHg over the 4-day treatment period[1]. In wild-type mice given 10% fructose in isotonic saline for 4 weeks, EMD638683 (600 mg/kg, given via mixed feed for 4 weeks) prevents hypertension[1].
| Animal Model | SV129 original background backcrossed 4 generations to C57BL/6J sgk1+/+ wild type (mixed gender, 4 months old, hyperinsulinemic salt-loaded)[1] |
|---|---|
| Dosage | 600 mg/kg |
| Administration | p.o.; continuous in chow; 4 days |
| Result | Normalized systolic blood pressure from 111 mmHg to 87 mmHg. Significantly increased urinary flow rate. Significantly decreased body weight. Caused no significant changes to fluid intake, food intake, or urinary Na+ and K+ excretion. Increased blood pressure to 106 mmHg after returning to placebo food. |
| Animal Model | SV129 original background backcrossed 4 generations to C57BL/6J sgk1+/+ wild type (mixed gender, 7 to 10 months old, fructose/salt-induced hypertension)[1] |
|---|---|
| Dosage | 600 mg/kg |
| Administration | p.o.; continuous in chow; 4 weeks |
| Result | Prevented the fructose/salt-induced rise in systolic blood pressure. Resulted in significantly lower systolic blood pressure compared to placebo-treated mice. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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