| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
Caseinolytic protease P (ClpP). ClpP is a highly conserved serine protease that plays a crucial role in bacterial protein quality control and virulence regulation. The (3S,4S)-enantiomer binds to ClpP but with significantly lower affinity compared to the active (3R,4R)-enantiomer.
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| ln Vitro |
As the less active enantiomer, (3S,4S)-A2-32-01 exhibits minimal direct inhibition of ClpP enzymatic activity compared to its active counterpart. Its IC50 for ClpP inhibition is substantially higher (i.e., much weaker) than the active (3R,4R)-enantiomer. This property makes it an ideal inactive control to validate target-specific effects in experiments.
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| ln Vivo |
The (3S,4S)-enantiomer shows negligible antibacterial or anti-virulence activity in vivo due to its low binding affinity for ClpP. It is not expected to inhibit bacterial growth or reduce virulence factor production in animal models. Its primary use is as a control in infection models to demonstrate that observed therapeutic effects are stereospecific and mediated by ClpP inhibition.
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| Enzyme Assay |
A typical ClpP inhibition assay is performed in cell-free systems. Purified ClpP protease (usually from a relevant bacterial species) is incubated with a fluorogenic peptide substrate. Various concentrations of test compounds are added. After incubation at 37degC, fluorescence is measured (λ_ex ≈ 380 nm, λ_em ≈ 460 nm) to determine residual enzymatic activity. IC50 values are calculated by comparing inhibition curves.
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| Cell Assay |
For cellular validation, bacterial cultures (e.g., Staphylococcus aureus or Escherichia coli) are grown in appropriate media to mid-log phase and treated with varying concentrations of (3S,4S)-A2-32-01 or the active enantiomer. After incubation for several hours, bacterial growth is measured by OD600 and virulence factor production is assessed by Western blot or ELISA. The inactive enantiomer serves as a negative control.
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| Animal Protocol |
In vivo validation experiments are performed in murine infection models (e.g., pneumonia or septicemia models). Animals are infected with pathogenic bacteria (e.g., S. aureus) and then treated with the active compound (3R,4R)-A2-32-01 or the inactive (3S,4S)-enantiomer as control. Bacterial loads in tissues (lungs, spleen, blood) are quantified by CFU counts, and survival rates are monitored.
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| ADME/Pharmacokinetics |
Preclinical pharmacokinetic data for (3S,4S)-A2-32-01 is limited as it is a reference compound rather than a therapeutic candidate. Based on structural similarity to the active enantiomer, it is expected to have reasonable bioavailability and stability, but with significantly lower target engagement. Detailed PK parameters (AUC, Cmax, t1/2, bioavailability) are not publicly available.
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| Toxicity/Toxicokinetics |
As a less active enantiomer used primarily as an experimental control, systematic toxicology studies have not been conducted for (3S,4S)-A2-32-01. The compound is intended for laboratory research only and not for therapeutic use. At typical control concentrations, it is not expected to be cytotoxic or cause adverse effects in animal models.
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| References | |
| Additional Infomation |
The (3S,4S)-enantiomer serves as a critical negative control to validate ClpP as a drug target. The development of ClpP inhibitors is a promising anti-virulence strategy to combat antibiotic-resistant bacterial infections without directly killing bacteria or imposing strong selective pressure for resistance. This compound is a research-grade chemical, not in clinical trials nor approved for human use.
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| Molecular Formula |
C19H27NO2
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| Molecular Weight |
301.42
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| Related CAS # |
(3R,4R)-A2-32-01;1359752-95-6
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| Appearance |
Colorless to light yellow ointment
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 :~100 mg/mL (~331.76 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (4.15 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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. Solubility in Formulation 2: ≥ 1.25 mg/mL (4.15 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (4.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3176 mL | 16.5881 mL | 33.1763 mL | |
| 5 mM | 0.6635 mL | 3.3176 mL | 6.6353 mL | |
| 10 mM | 0.3318 mL | 1.6588 mL | 3.3176 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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