| 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 |
The primary target of BAY-091 is PIP4K2A, a lipid kinase implicated in p53-deficient cancer pathology and cellular signaling. It directly interacts with PIP4K2A in cells and inhibits downstream signaling. It shows selectivity for PIP4K2A over other kinases.
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| ln Vitro |
In vitro, BAY-091 is a potent and highly selective inhibitor of PIP4K2A. It directly interacts with PIP4K2A in cells. Its potency varies across different cell types and assays. It inhibits downstream signaling, but this did not translate into antiproliferative activity in p53-deficient tumor cells.
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| ln Vivo |
In vivo activity data for BAY-091 are limited, as it is primarily used as a chemical probe. It has not shown significant antiproliferative activity in animal models of p53-deficient cancer. It remains useful for studying PIP4K2A function.
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| Enzyme Assay |
Non-cellular assays for BAY-091 involve measuring its inhibitory activity against purified PIP4K2A kinase using radiometric or fluorescence-based kinase assays. IC50 values are determined from dose-response curves. Its selectivity is assessed against a panel of other kinases.
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| Cell Assay |
Cellular assays for BAY-091 are conducted using cell lines to assess its target engagement and effects on downstream signaling. Cellular thermal shift assays (CETSA) are used to confirm target engagement. Phosphorylation of PIP4K2A substrates is measured by Western blotting.
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| Animal Protocol |
In vivo animal experiments for BAY-091 may be conducted in tumor models to assess its effects on tumor growth and PIP4K2A signaling. However, due to its lack of antiproliferative activity, its use in vivo is limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of BAY-091 are not extensively detailed. As a small molecule, its bioavailability and half-life would depend on its formulation and route of administration. It is primarily used as an in vitro tool.
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| Toxicity/Toxicokinetics |
Toxicological data for BAY-091 are limited, as it is a research compound. It is for research use only and not for human or veterinary use. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
[1]. Wortmann L, et al. Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A. J Med Chem. 2021 Nov 11;64(21):15883-15911.
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| Additional Infomation |
BAY-091 is a valuable chemical probe for studying the function of PIP4K2A. It is one of the few selective inhibitors of this lipid kinase and is used to investigate its role in cancer and cellular signaling. It is also known as a probe for in vitro analysis of PIP4K2A function.
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| Exact Mass |
440.165
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|---|---|
| CAS # |
2922280-34-8
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| PubChem CID |
155884467
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
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| Boiling Point |
732.6±60.0 °C(Predicted)
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| LogP |
0
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
718
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC[C@H](C(=O)O)NC1=C(C(=NC2=C1C=CN=C2)C3=CC=C(C=C3)C4=CC=CC(=C4F)C)C#N
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| InChi Key |
DVIVLYHDLNAXAT-OAQYLSRUSA-N
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| InChi Code |
InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1
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| Chemical Name |
(2R)-2-[[3-cyano-2-[4-(2-fluoro-3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
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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: 125 mg/mL (283.79 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
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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