| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
DGKz[1]
DGKzeta (diacylglycerol kinase zeta). (S)-BAY 2965501 is a potent and selective DGKzeta inhibitor. Inhibition of DGKzeta leads to accumulation of diacylglycerol (DAG), which activates protein kinase C (PKC) and downstream signaling pathways, including pERK activation. |
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| ln Vitro |
(S)-BAY 2965501 is the (S)-enantiomer of BAY 2965501. BAY 2965501 is a potent and specific diacylglycerol kinase zeta (DGKzeta) inhibitor. Inhibition of DGKzeta induces pERK activation, likely through DAG-mediated PKC activation. The compound has potential for cancer research, as DGKzeta is implicated in T-cell anergy and cancer immune evasion. (S)-BAY 2965501 is the left-handed isomer, and its enantiomeric purity makes it useful for stereospecificity studies.
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| ln Vivo |
No specific in vivo activity data are reported for (S)-BAY 2965501. BAY 2965501 (the parent compound) is described as having potential for cancer research. (S)-BAY 2965501, as the pure enantiomer, may have improved pharmacological properties compared to the racemate. It could be used in mouse models of cancer to evaluate efficacy and mechanism, but such studies have not been published. The compound is primarily an in vitro research tool.
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| Enzyme Assay |
Cell-free DGKzeta activity assays are performed using recombinant human DGKzeta enzyme. The enzyme is incubated with DAG substrate and ATP (or [gamma-33P]-ATP) in the presence of increasing concentrations of (S)-BAY 2965501 (0.01-10,000 nM) in assay buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.1% Triton X-100). After 30-60 min at 30degC, the reaction is terminated, and DGKzeta activity is measured by quantifying the production of phosphatidic acid (PA) or by measuring incorporated 33P using scintillation counting. IC50 for DGKzeta inhibition is determined. Selectivity against other DGK isoforms is assessed.
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| Cell Assay |
Human T-cell lines (e.g., Jurkat) or cancer cell lines with DGKzeta expression are seeded in 24-well or 96-well plates. Cells are treated with (S)-BAY 2965501 at various concentrations (0.1-100 uM) for 15-60 min. DGKzeta inhibition is inferred by measuring pERK activation (ERK1/2 phosphorylation) by Western blot or phospho-flow cytometry. DAG accumulation may be measured by mass spectrometry. PKC activation (PKC substrate phosphorylation) may also be assessed. Cell viability is assessed by MTT or CellTiter-Glo assay after 24-72 hours of treatment. The effect of DGKzeta inhibition on T-cell activation and cytokine production can be assessed by stimulating T cells with anti-CD3/CD28 in the presence of (S)-BAY 2965501 and measuring IL-2 and IFN-gamma by ELISA.
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| Animal Protocol |
No specific in vivo animal protocols are published for (S)-BAY 2965501. For potential in vivo studies, (S)-BAY 2965501 would be formulated in a suitable vehicle (e.g., 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline) and administered to mice by intraperitoneal injection or oral gavage. Cancer models (e.g., syngeneic tumor models where T-cell function is important) could be used to assess efficacy. Tumor growth would be measured, and immune cell infiltration and activation in the tumor microenvironment would be assessed. No such studies are reported.
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| ADME/Pharmacokinetics |
No specific PK data are reported for (S)-BAY 2965501. The molecular weight is 414.45 (C20H19FN4O3S). CAS 2732902-09-7. Formula: C20H19FN4O3S. Solubility: DMSO (10-50 mg/mL). Storage: -20degC. The compound is described as a small molecule with potential for oral bioavailability, but PK parameters (t1/2, Cmax, AUC) have not been characterized. The (S)-enantiomer is the pharmacologically active isomer; the R-enantiomer may have different activity and PK properties.
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| Toxicity/Toxicokinetics |
No specific toxicity data are reported for (S)-BAY 2965501. As a DGKzeta inhibitor, potential toxicities include effects on T-cell function and immune homeostasis, as well as potential effects on the cardiovascular system (DGKzeta is expressed in heart). Comprehensive toxicological assessments have not been published. No clinical trials have been conducted. The compound is not FDA-approved. For research use only.
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| References | |
| Additional Infomation |
Other information: (S)-BAY 2965501 (CAS 2732902-09-7) is a research compound, not FDA-approved. It is the (S)-enantiomer of BAY 2965501, a potent and selective diacylglycerol kinase zeta (DGKzeta) inhibitor. Inhibition of DGKzeta induces pERK activation. It is a valuable tool for studying DGKzeta in cancer research, T-cell biology, and immune modulation. Purity ≥98%. For research use only.
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| Molecular Formula |
C20H19FN4O3S
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| Molecular Weight |
414.453266382217
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| Exact Mass |
414.116
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| CAS # |
2732902-09-7
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| Related CAS # |
BAY 2965501;2732902-08-6
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| PubChem CID |
166792618
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
29
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| Complexity |
582
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(=O)N)N(C1=CC=C(C=C1)F)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)OC)N
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| InChi Key |
HSBUVKDEUUJREZ-NSHDSACASA-N
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| InChi Code |
InChI=1S/C20H19FN4O3S/c1-11(19(23)27)25(14-7-5-13(21)6-8-14)20-24-18(22)17(29-20)16(26)12-3-9-15(28-2)10-4-12/h3-11H,22H2,1-2H3,(H2,23,27)/t11-/m0/s1
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| Chemical Name |
(2S)-2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4128 mL | 12.0642 mL | 24.1284 mL | |
| 5 mM | 0.4826 mL | 2.4128 mL | 4.8257 mL | |
| 10 mM | 0.2413 mL | 1.2064 mL | 2.4128 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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