| 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 |
GGTase-I (geranylgeranyltransferase type I), indirectly YAP/TAZ via Rho-GTPase signaling blockade.
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| ln Vitro |
Specific in vitro activity data for (7S)-BAY-593 alone is not detailed. As the S-enantiomer with inverted C7 configuration, it is expected to have reduced or no activity compared to the active (2R,7R)-BAY-593 enantiomer. The parent compound BAY-593 (active enantiomer) inhibits GGTase-I, blocking Rho-GTPase activation and leading to YAP1/TAZ pathway inactivation in cancer cells. (7S)-BAY-593 is used as a negative stereochemical control in cell-based assays to confirm target-specific effects of the active BAY-593 enantiomer.
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| ln Vivo |
No in vivo activity is attributed specifically to (7S)-BAY-593, as it is the inactive stereochemical control. The parent BAY-593 (active enantiomer) has been shown to block YAP1/TAZ signaling and exhibit dose-dependent anti-tumor activity in vivo in HT-1080 fibrosarcoma and MDA-MB-231 triple-negative breast cancer xenograft models after oral administration. (7S)-BAY-593 would be tested in parallel to confirm that observed anti-tumor effects are due to specific GGTase-I engagement and not off-target activities.
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| Enzyme Assay |
The active enantiomer BAY-593 inhibits GGTase-I enzymatic activity by binding to the enzyme's active site. Typical assays for GGTase-I inhibition use purified recombinant GGTase-I enzyme (PGGT1B) and its substrate, H-Ras (or other Rho family GTPases) pre-labeled with fluorescent tags (e.g., rhodamine). The enzyme transfers a geranylgeranyl group from a donor molecule (geranylgeranyl pyrophosphate) to the acceptor protein. Inhibition is measured by fluorescence polarization or HPLC-based product formation. (7S)-BAY-593 is tested in these assays as a control to confirm stereospecificity.
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| Cell Assay |
For cell-based assays, (7S)-BAY-593 is tested in parallel with the active (2R,7R)-BAY-593 enantiomer as a stereochemical control. Cancer cell lines (e.g., HT-1080 fibrosarcoma, MDA-MB-231 breast cancer) are treated with both compounds at concentrations ranging from 0.1 nM to 10 uM for 48-72 hours. YAP1/TAZ transcriptional activity is measured using TEAD-luciferase reporter assays. Rho-GTPase prenylation (e.g., RhoA, Rac1, Cdc42) is assessed by Western blotting using antibodies specific for unprenylated vs. total protein. Cell proliferation and viability are measured by CellTiter-Glo or MTT assays. The differential activity between (7S)- and (2R,7R)-BAY-593 confirms target stereospecificity.
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| Animal Protocol |
The active BAY-593 (2R,7R enantiomer) is typically administered orally to mice at doses of 10-50 mg/kg once daily or twice daily. For (7S)-BAY-593, which is the inactive stereochemical control, similar administration protocols would be used in parallel experiments as a negative control. Xenograft models (e.g., HT-1080, MDA-MB-231 tumors in immunocompromised mice) are established, and tumor volume is measured twice weekly. Blood samples may be collected for PK analysis. Terminal plasma and tumor tissue are collected for biomarker analysis (YAP1 target genes CTGF, CYR61 by qRT-PCR; Rho prenylation status by Western blot).
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| ADME/Pharmacokinetics |
The active enantiomer BAY-593 is orally bioavailable with favorable PK properties. (7S)-BAY-593 has identical molecular weight (476.53) and cLogP (~3.22) to the active enantiomer and is expected to have similar solubility and permeability characteristics, allowing it to serve as a matched negative control for PK/PD studies. Solubility: DMSO (125 mg/mL). Storage: powder at -20degC for 3 years, in-solvent at -80degC for 6 months. For in vivo, formulation may involve DMSO:PEG300:Tween 80:saline (10:40:5:45) to achieve appropriate dosing concentrations.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for (7S)-BAY-593 as it is a research chemical control probe. Toxicological data for the active enantiomer BAY-593 from non-clinical safety studies is proprietary and not publicly available. (7S)-BAY-593 should be handled with standard chemical safety precautions (gloves, lab coat, eye protection) as all research chemicals should. The compound is strictly for research use only, not for human or veterinary use, and has not undergone formal toxicological evaluation for human safety.
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| References | |
| Additional Infomation |
(7S)-BAY-593 is the S-enantiomer of BAY-593, a GGTase-I inhibitor that blocks YAP1/TAZ signaling via Rho-GTPase inhibition. It serves as an essential chiral control probe for validating target engagement and stereospecificity in drug discovery programs targeting GGTase-I and the Hippo signaling pathway. The parent compound BAY-593 was discovered through a high-throughput phenotypic screen of 3.8 million compounds and multi-parameter optimization. (7S)-BAY-593 is strictly for laboratory research use only, not for clinical or therapeutic applications.
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| Molecular Formula |
C26H31F3N2O3
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|---|---|
| Molecular Weight |
476.53
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| CAS # |
2413068-25-2
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| Appearance |
Solid powder
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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 (~262.31 mM; with ultrasonication)
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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 | 2.0985 mL | 10.4925 mL | 20.9850 mL | |
| 5 mM | 0.4197 mL | 2.0985 mL | 4.1970 mL | |
| 10 mM | 0.2099 mL | 1.0493 mL | 2.0985 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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