| 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 |
IC50: 81 nM (DNA-PK)[1]
BAY-8400 targets DNA-dependent protein kinase (DNA-PK), a key enzyme involved in the non-homologous end joining (NHEJ) pathway of DNA double-strand break repair. DNA-PK is activated by DNA damage and plays a critical role in maintaining genomic stability. Inhibition of DNA-PK by BAY-8400 impairs DNA repair, leading to increased DNA damage and cell death in cancer cells. The compound is selective for DNA-PK over ataxia-telangiectasia mutated kinase (ATM), making it a valuable tool for studying DNA repair pathways. |
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| ln Vitro |
BAY-8400 demonstrates potent in vitro activity as a DNA-PK inhibitor with a biochemical IC50 of 81 nM. It has a cellular IC50 of 69 nM (γH2AX in HT-144 cells). The compound is selective for DNA-PK over ATM. Its activity is typically assessed in kinase inhibition assays using purified DNA-PK enzyme and in cellular assays measuring DNA-PK autophosphorylation and γH2AX formation as markers of DNA damage response. BAY-8400 can be used for cancer research.
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| ln Vivo |
BAY-8400 boosts antitumor efficaciousness at 150 mg/kg or po. Oral bioavailability and cross-species water solubility are demonstrated by BAY-8400 [1].
BAY-8400 is an orally active compound with demonstrated in vivo efficacy. It boosts antitumor efficacy at 150 mg/kg when administered orally. Oral bioavailability and cross-species water solubility are demonstrated by BAY-8400. The compound's in vivo efficacy has been evaluated in cancer models, where it enhances the antitumor activity of DNA-damaging agents by inhibiting DNA repair. Further studies in appropriate animal models would be needed to fully characterize its therapeutic potential. |
| Enzyme Assay |
For DNA-PK kinase inhibition assays, purified DNA-PK enzyme is incubated with ATP, a peptide substrate, and BAY-8400 at various concentrations. Kinase activity is measured using radiometric or fluorescence-based methods. IC50 values are calculated from dose-response curves. Selectivity profiling is conducted by screening the compound against a panel of related kinases including ATM, ATR, and PI3K to assess specificity for DNA-PK.
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| Cell Assay |
For cellular studies, appropriate cancer cell lines (e.g., HT-144) are cultured in appropriate media and treated with BAY-8400 at various concentrations. DNA-PK inhibition is assessed by measuring DNA-PK autophosphorylation and γH2AX formation by Western blot using phospho-specific antibodies. Cell viability is assessed using MTT or CellTiter-Glo assays, and IC50 values are calculated. DNA damage is assessed by comet assay or immunofluorescence staining of DNA damage foci.
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| Animal Protocol |
For in vivo efficacy studies, mice bearing tumor xenografts are administered BAY-8400 orally at various doses (e.g., 150 mg/kg). Tumor volume is measured twice weekly using calipers, and body weight is monitored for toxicity assessment. At study termination, tumors are collected for analysis of DNA-PK inhibition, DNA damage markers, and apoptosis. Pharmacokinetic studies are conducted to determine compound exposure in plasma and tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of BAY-8400 have been characterized in preclinical studies. The compound is orally bioavailable with demonstrated oral bioavailability. It has a molecular formula of C21H17F2N5O and a molecular weight of 393.38-393.39. Purity is 99%. The compound is a solid and should be stored at -20°C. Cross-species water solubility is demonstrated. The compound is a DNA Damage class compound.
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| Toxicity/Toxicokinetics |
BAY-8400 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a potent and selective DNA-PK inhibitor with an IC50 of 81 nM, it can be used for cancer research. The compound is orally active and boosts antitumor efficacy. Standard laboratory safety precautions should be followed when handling this compound. Storage at -20°C is recommended.
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| References | |
| Additional Infomation |
BAY-8400 is an orally active, potent, and selective DNA-PK inhibitor with biochemical IC50 of 81 nM and cellular IC50 of 69 nM, molecular formula C21H17F2N5O, and molecular weight 393.38-393.39. It is selective for DNA-PK over ATM. The compound boosts antitumor efficacy at 150 mg/kg orally and can be used for cancer research. It is for research use only and has not been approved for clinical applications. Purity 99% and storage at -20°C is recommended.
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| Molecular Formula |
C21H17F2N5O
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|---|---|
| Molecular Weight |
393.39
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| Exact Mass |
393.14
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| Elemental Analysis |
C, 64.12; H, 4.36; F, 9.66; N, 17.80; O, 4.07
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| CAS # |
2763602-59-9
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| PubChem CID |
162366965
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.45±0.1 g/cm3(Predicted)
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
29
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| Complexity |
606
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC([H])(C1=C([H])N=C([H])C(=C1[H])C1C([H])=C([H])C2=C(C=1[H])N1C(C([H])=N2)=NN=C1C1=C([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])F
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| InChi Key |
ATKHYZXUMVNCIO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2
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| Chemical Name |
8-[5-(difluoromethyl)pyridin-3-yl]-1-(2,3,6,7-tetrahydrooxepin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Synonyms |
BAY-8400; BAY8400; BAY 8400;
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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 : 62.5 mg/mL (158.88 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.29 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O 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 | 2.5420 mL | 12.7100 mL | 25.4201 mL | |
| 5 mM | 0.5084 mL | 2.5420 mL | 5.0840 mL | |
| 10 mM | 0.2542 mL | 1.2710 mL | 2.5420 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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