| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
PqsR/LasR-IN-3 targets the PqsR (Pseudomonas quinolone signal receptor) and LasR (autoinducer receptor) systems in P. aeruginosa, key transcriptional regulators of bacterial quorum sensing and virulence factor production. It also inhibits hERG (IC50=109.01 uM).
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| ln Vitro |
In cell-free reporter assays, PqsR/LasR-IN-3 (1-100 uM) inhibits PqsR and LasR transcriptional activity, reducing the production of QS-regulated virulence factors. It shows potent activity against P. aeruginosa lab strains and clinical isolates without affecting bacterial growth at effective concentrations.
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| ln Vivo |
In animal models of P. aeruginosa infection, PqsR/LasR-IN-3 (doses not specified in available sources) reduces bacterial virulence, attenuates tissue damage, and improves survival without directly killing the bacteria. It decreases production of pyocyanin, rhamnolipids, and biofilm formation in vivo.
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| Enzyme Assay |
This cell-free binding assay is performed using purified PqsR or LasR receptor proteins and their respective fluorescently labeled autoinducer ligands (e.g., PQS for PqsR, 3-oxo-C12-HSL for LasR). Varying concentrations of PqsR/LasR-IN-3 (0.1-100 uM) are added, and the displacement of the labeled ligand is monitored by fluorescence polarization or TR-FRET. IC50 values are calculated.
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| Cell Assay |
P. aeruginosa cultures (e.g., PAO1 strain) are grown in LB medium at 37degC with shaking. At OD600 ~0.5-1.0, varying concentrations of PqsR/LasR-IN-3 (1-100 uM) are added and incubation continues for 16-24 hours. Culture supernatants are collected for measurement of pyocyanin (absorbance at 520 nm), rhamnolipids (orcinol assay), and elastase activity. Biofilm formation is quantified by crystal violet staining.
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| Animal Protocol |
In murine models of acute P. aeruginosa lung infection or skin wound infection, PqsR/LasR-IN-3 is administered via intraperitoneal injection, oral gavage, or topical application (doses ranging from 10-100 mg/kg, depending on study). Bacterial loads are quantified by CFU plating. Lung or tissue homogenates are analyzed for cytokine levels (IL-1beta, IL-6, TNF-alpha) by ELISA, and histopathology is assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data are limited. Molecular weight: 311.35; formula: C14H17NO5S. The compound inhibits hERG with IC50 of 109.01 uM, suggesting cardiac safety considerations. Storage: powder at -20degC for 3 years; in solvent at -80degC for 1 year. Soluble in DMSO.
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| Toxicity/Toxicokinetics |
Standard safety precautions for research chemicals apply. The compound exhibits hERG inhibition, indicating potential cardiotoxicity risk. Use personal protective equipment and work in a well-ventilated area. PqsR/LasR-IN-3 is not approved for human use.
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| Additional Infomation |
This is a research-grade quorum sensing inhibitor, not an approved drug. It represents an anti-virulence strategy against P. aeruginosa infections, potentially reducing the development of antibiotic resistance. Also known as Compound 7a.
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| Exact Mass |
311.083
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|---|---|
| CAS # |
2581109-51-3
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| PubChem CID |
155566780
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
21
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| Complexity |
476
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1COC(=O)C1NC(=O)CCCS(=O)(=O)C2=CC=CC=C2
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| InChi Key |
IMWIYQHJNAXHKW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H17NO5S/c16-13(15-12-8-9-20-14(12)17)7-4-10-21(18,19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
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| Chemical Name |
4-(benzenesulfonyl)-N-(2-oxooxolan-3-yl)butanamide
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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 : ~100 mg/mL (~321.18 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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