| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Targets |
PA3552-IN-1 targets the PA3552 gene/protein in Pseudomonas aeruginosa, which is involved in polymyxin resistance mechanisms. PA3552 is part of the arn operon, which mediates the addition of L-Ara4N to lipid A, reducing the negative charge of the outer membrane and decreasing polymyxin binding. By reducing PA3552 expression, PA3552-IN-1 restores the sensitivity of MDR P. aeruginosa to Polymyxin B. The compound is an antibiotic adjuvant rather than a direct antibacterial agent.
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| ln Vitro |
In vitro, PA3552-IN-1 restores the sensitivity of MDR Pseudomonas aeruginosa DK2 strain to Polymyxin B. It reduces PA3552 expression, thereby resensitizing resistant bacteria to the antibiotic. The compound shows antibiotic adjuvant activity without direct antibacterial effects. However, specific IC50 values or minimum inhibitory concentrations are not extensively reported in the available literature.
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| ln Vivo |
In vivo, PA3552-IN-1 is expected to enhance the efficacy of Polymyxin B in animal models of MDR Pseudomonas aeruginosa infection. By restoring antibiotic sensitivity, the compound may reduce the required dose of Polymyxin B and improve treatment outcomes. However, specific in vivo efficacy data for this compound are not extensively reported in the available literature.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for PA3552-IN-1, as it acts by reducing PA3552 expression rather than binding to a specific enzyme or receptor. The compound's activity is assessed by measuring PA3552 expression levels using qRT-PCR or Western blotting in P. aeruginosa cultures. Antibiotic susceptibility is assessed by determining the minimum inhibitory concentration (MIC) of Polymyxin B in the presence and absence of the compound using broth microdilution methods.
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| Cell Assay |
In vitro cellular assays for PA3552-IN-1 use MDR Pseudomonas aeruginosa DK2 strain cultures. Bacteria are grown in Mueller-Hinton broth to mid-log phase and treated with various concentrations of the compound (typically 1-100 μg/mL) in the presence of Polymyxin B. Bacterial growth is monitored by OD600 measurement. MIC values of Polymyxin B are determined with and without the compound. PA3552 expression is measured by qRT-PCR. Bacterial viability is assessed by CFU counting on agar plates.
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| Animal Protocol |
In vivo animal studies with PA3552-IN-1 would typically use mouse models of Pseudomonas aeruginosa infection. Mice are infected intratracheally or intraperitoneally with MDR P. aeruginosa and treated with the compound in combination with Polymyxin B. Bacterial load in lungs or other tissues is measured by CFU counting. Survival rates and histopathology are assessed. However, specific in vivo data for this compound are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PA3552-IN-1: The compound is soluble in DMSO (≥13.89 mg/mL, 44.71 mM). Specific PK parameters such as oral bioavailability, half-life, and tissue distribution are not extensively reported. The compound has a molecular weight of 310.67.
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| Toxicity/Toxicokinetics |
The toxicity profile of PA3552-IN-1 is not extensively reported in the available literature. As an antibiotic adjuvant, it is expected to have low toxicity. The compound is for research use only and not for human therapeutic use. Standard toxicity studies would include cytotoxicity assays in mammalian cell lines and acute toxicity in rodents.
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| Additional Infomation |
PA3552-IN-1 (CAS 1008121-12-7, compound 15) is an antibiotic adjuvant that restores the sensitivity of MDR Pseudomonas aeruginosa DK2 strain to Polymyxin B by reducing PA3552 expression. It has a molecular formula of C13H8ClFN2O4 and a molecular weight of 310.67. The compound is a valuable research tool for studying antibiotic resistance mechanisms and developing combination therapies against MDR bacterial infections. It is available for research purposes only.
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| Molecular Formula |
C13H8CLFN2O4
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|---|---|
| Molecular Weight |
310.67
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| Exact Mass |
310.015
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| CAS # |
1008121-12-7
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| PubChem CID |
25217274
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
406
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)F)O
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| InChi Key |
BDYVQNWGUDCTIB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H8ClFN2O4/c14-10-6-8(17(20)21)2-3-11(10)16-13(19)9-5-7(15)1-4-12(9)18/h1-6,18H,(H,16,19)
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| Chemical Name |
N-(2-chloro-4-nitrophenyl)-5-fluoro-2-hydroxybenzamide
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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 : ≥ 13.89 mg/mL (~44.71 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2188 mL | 16.0942 mL | 32.1885 mL | |
| 5 mM | 0.6438 mL | 3.2188 mL | 6.4377 mL | |
| 10 mM | 0.3219 mL | 1.6094 mL | 3.2188 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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