| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C24H16F4N6O2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
BAY-876 is a chemical probe and an orally active, selective inhibitor of glucose transporter 1 (GLUT1), with an IC50 of 2 nM. It shows more than 130-fold selectivity for GLUT1 over GLUT2, GLUT3 and GLUT4, and it potently blocks glycolytic metabolism and the growth of ovarian cancer cells. BAY-876 can also promote disulfide bond formation in actin cytoskeletal proteins, giving rise to disulfidptosis[1][2][3]. It is supplied as a white to off-white solid (C24H16F4N6O2, MW 496.42) at 99.67% purity.
Physical & Chemical Properties
| CAS Number | 1799753-84-6 |
|---|---|
| Molecular Formula | C24H16F4N6O2 |
| Molecular Weight | 496.42 g/mol |
| Purity | 99.67% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(C1=NC2=CC(F)=CC=C2C(C(NC3=C(C)N(CC4=CC=C(C#N)C=C4)N=C3C(F)(F)F)=O)=C1)N |
| Target | GLUT1, GLUT2, GLUT3, GLUT4 |
| Signaling Pathway | Membrane Transporter/Ion Channel; Cell Cycle/DNA Damage |
| Solubility | In Vitro: DMSO: ≥ 100 mg/mL (201.44 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, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
GLUT1 2 nM (IC50) |
GLUT2 10.08 μM (IC50) |
GLUT3 1.67 μM (IC50) |
GLUT4 0.29 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 | ≥ 100 mg/mL (201.44 mM) | use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); 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 + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (5.04 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
BAY-876 (25-75 nM; 24 and 72 hours) exerts a growth-inhibitory effect, producing a dose-dependent drop in SKOV-3 and OVCAR-3 cell numbers[2].
Cell Proliferation Assay[2]
| Cell Line | SKOV-3 and OVCAR-3 cells |
|---|---|
| Concentration | 25, 50, 75 nM |
| Incubation Time | 24 and 72 hours |
| Result | Led to a dose-dependent decrease in numbers of SKOV-3 and OVCAR-3 cells. |
In Vivo
In mice, oral BAY-876 (1.5-4.5 mg/kg/day for 28 days) produces a clear, dose-dependent inhibition of tumorigenicity[2].
| Animal Model | Female NOD-scid IL2rgnull (NSG) mice carrying SKOV-3 subcutaneous (s.c.) xenografts[2] |
|---|---|
| Dosage | 1.5, 3, 4.5 mg/kg |
| Administration | Oral administration; daily; for 28 days |
| Result | Caused a clear dose-dependent inhibition of tumorigenicity. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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