| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C20H23BrN8O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
BX-912 is a direct, selective, ATP-competitive PDK1 inhibitor with an IC50 of 26 nM. It blocks PDK1/Akt signaling in tumor cells and either inhibits anchorage-dependent growth of a variety of tumor cell lines in culture or induces apoptosis in them[1]. It is supplied as a white to off-white solid (C20H23BrN8O, MW 471.35) at 99.50% purity.
Physical & Chemical Properties
| CAS Number | 702674-56-4 |
|---|---|
| Molecular Formula | C20H23BrN8O |
| Molecular Weight | 471.35 g/mol |
| Purity | 99.50% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | BrC1=C(NCCC2=CNC=N2)N=C(NC3=CC(NC(N4CCCC4)=O)=CC=C3)N=C1 |
| Signaling Pathway | PI3K/Akt/mTOR; Apoptosis |
| Solubility | In Vitro: DMSO: ≥ 100 mg/mL (212.16 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
IC50: 26 nM (PDK1)[1]
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 (212.16 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 | ≥ 2.75 mg/mL (5.83 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.75 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (27.5 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 | ≥ 2.75 mg/mL (5.83 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.75 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (27.5 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 | ≥ 2.75 mg/mL (5.83 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.75 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 (27.5 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
In MDA-468 cells, BX-912 induces a block at the G2/M phase of the cell cycle[1]. BX-912 binds the ATP binding site of PDK1 and is 9-fold selective for PDK1 over PKA. In PTEN-negative PC-3 cells, BX-912 blocks PDK1 activity. These PTEN-negative PC-3 cells show constitutive activation of Akt, reflected by high levels of the PDK1 product, phospho-Thr308-Akt[1]. In a coupled assay measuring PDK1- and PtdIns-3,4-P2-mediated Akt activation, BX-912 is identified; this assay is able to detect inhibitors of PDK1, AKT2, or other steps critical for AKT2 activation[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Cell Assay[1]
Seed MDA-468, MDA-453, HCT-116, U87-MG, U2OS, PC-3, B16F10, and MiaPaCa cell lines, LOX amelanotic human melanoma cells, and HeLa cells at a low density (1,500-3,000 cells/well, 0.1 mL/well, 96-well plates) and incubate overnight. Treat the cells with BX-912 (1, 10, 100 and 1000 nM), 10 μL/well, prepared in growth medium with 1% DMSO (0.1% DMSO final concentration), and shake briefly. Incubate the treated cells for 72 h, then measure viability by adding 10 μL of the metabolic dye WST-1. Read the WST-1 signal in a plate reader at 450 nm and subtract a no cell, or zero time cell, background to calculate the net signal[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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