| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PqsR/LasR-IN-1 targets two key quorum-sensing transcriptional regulators in P. aeruginosa: LasR (3-oxo-C12-HSL receptor) and PqsR/MvfR (PQS/HHQ receptor). It simultaneously disrupts both hierarchically linked QS circuits. It also inhibits hERG with an IC50 of 6.77 uM.
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| ln Vitro |
In cell-free reporter assays, PqsR/LasR-IN-1 (0.1-50 uM) inhibits PqsR and LasR transcriptional activity. It reduces production of QS-regulated virulence factors including pyocyanin, rhamnolipids, and biofilm in P. aeruginosa PA14 and PAO1 strains. The compound does not inhibit bacterial growth at effective concentrations.
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| ln Vivo |
In animal models of P. aeruginosa infection, PqsR/LasR-IN-1 reduces bacterial virulence, attenuates tissue damage, and improves survival. It has an anti-virulence effect against P. aeruginosa, reducing biofilm, pyocyanin, and rhamnolipid production in vivo. Detailed dosing information requires additional literature review.
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| Enzyme Assay |
This cell-free binding assay is performed using purified PqsR or LasR receptor proteins and their respective labeled autoinducer ligands (PQS for PqsR, 3-oxo-C12-HSL for LasR). Varying concentrations of PqsR/LasR-IN-1 (0.01-100 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 PA14 or PAO1 cultures are grown to mid-log phase. PqsR/LasR-IN-1 (1-100 uM) is added and incubation continues for 16-24 hours. Pyocyanin is extracted from culture supernatants with chloroform and quantified by absorbance at 520 nm. Rhamnolipids are measured by the orcinol assay. Biofilm formation is quantified by crystal violet staining. Cell viability is assessed by CFU plating.
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| Animal Protocol |
In murine models of P. aeruginosa infection (e.g., lung infection, skin wound infection), PqsR/LasR-IN-1 is administered via intraperitoneal injection or oral gavage at doses ranging from 10-50 mg/kg, typically once or twice daily for 3-7 days. Bacterial loads in tissues are quantified by CFU plating. Inflammatory cytokine levels (IL-1beta, IL-6, TNF-alpha) in tissue homogenates are measured by ELISA. Histopathology of infected tissues is assessed.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for PqsR/LasR-IN-1 are limited. The compound inhibits hERG with an IC50 of 6.77 uM, which is relevant for cardiac safety assessment. Storage: powder at -20degC for 3 years; in solvent at -80degC for 1 year. Molecular weight: 405.87; formula: C24H20ClNO3. Soluble in DMSO.
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| Toxicity/Toxicokinetics |
Standard safety precautions for research chemicals apply. PqsR/LasR-IN-1 is for research use only, not for human therapy. The compound exhibits hERG inhibition, indicating potential cardiotoxicity risk. Avoid inhalation, ingestion, and skin contact. Use personal protective equipment.
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| Additional Infomation |
This is a research-grade dual quorum sensing inhibitor, not an approved drug. It is used to study P. aeruginosa virulence and as a lead compound for developing anti-virulence therapeutics. Purity: ≥98%. Also known as Compound 2a.
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| Molecular Formula |
C24H20CLNO3
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|---|---|
| Molecular Weight |
405.87
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| Exact Mass |
405.113
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| CAS # |
924818-33-7
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| PubChem CID |
16648749
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| Appearance |
White to off-white solid powder
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| LogP |
5.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
29
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| Complexity |
603
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)Cl)C
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| InChi Key |
WMGRTKLFMHNQKG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H20ClNO3/c1-14-3-9-20(11-15(14)2)26-23(27)17-6-10-21-18(12-17)13-22(29-24(21)28)16-4-7-19(25)8-5-16/h3-12,22H,13H2,1-2H3,(H,26,27)
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| Chemical Name |
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
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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 | 2.4638 mL | 12.3192 mL | 24.6384 mL | |
| 5 mM | 0.4928 mL | 2.4638 mL | 4.9277 mL | |
| 10 mM | 0.2464 mL | 1.2319 mL | 2.4638 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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