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| Targets |
TLR4-MyD88 signaling pathway; full-length beta-lactamase.
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| ln Vitro |
In RAW264.7 cells, LPS mediated IL-6 production is inhibited by RDR 02308 (0-10 μM; 1 h) [1].
RDR 02308 (0-10 microM; 1 hour) inhibits LPS-mediated IL-6 production in RAW264.7 murine macrophage cells. The compound acts as an inhibitor of the TLR4-MyD88 binding interaction, thereby blocking downstream inflammatory signaling activated by LPS stimulation. Additionally, RDR 02308 effectively inhibits the activity of full-length beta-lactamase, an enzyme responsible for antibiotic resistance in bacteria. This dual activity makes RDR 02308 a unique pharmacological probe for studying both innate immunity and bacterial resistance mechanisms. The compound likely interferes with the protein-protein interaction between TLR4 and MyD88, preventing signal transduction through the NF-kappaB and MAPK pathways, which are central to the expression of pro-inflammatory cytokines. More detailed in vitro activity data, including IC50 values and mechanism of action characterization, are not currently available. |
| ln Vivo |
No detailed in vivo data for RDR 02308 is publicly available. As a research-grade inhibitor primarily used for in vitro mechanistic studies, its in vivo efficacy, pharmacokinetics, and toxicity profiles have not been extensively characterized or reported in the literature. However, given its activity as a TLR4-MyD88 inhibitor, it would be predicted to have potential in vivo effects in animal models of sepsis, inflammation, or bacterial infection. For compounds with similar mechanisms, in vivo studies typically involve administration (intraperitoneal or oral) in rodents to measure reduction in serum cytokine levels, improvement in survival from LPS-induced endotoxemia, or synergistic effects with beta-lactam antibiotics in models of drug-resistant bacterial infections.
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| Enzyme Assay |
The inhibitory activity of RDR 02308 against beta-lactamase is typically measured using a spectrophotometric enzymatic assay. Purified beta-lactamase enzyme is diluted in assay buffer (e.g., 50 mM phosphate buffer, pH 7.0). A range of inhibitor concentrations (e.g., 0.1-100 microM, diluted in DMSO or buffer) is pre-incubated with the enzyme for a defined period (e.g., 10-30 minutes at 25degC). The reaction is initiated by addition of a chromogenic beta-lactam substrate, such as nitrocefin (100 microM final concentration). Nitrocefin undergoes a color change from yellow to red upon hydrolysis by beta-lactamase, which can be monitored by measuring the increase in absorbance at 486 nm using a UV-Vis spectrophotometer. The initial linear reaction rate (V0) is calculated, and the percentage inhibition is determined relative to control reactions without inhibitor. The IC₅0 is calculated by fitting the concentration-response data to a four-parameter logistic equation. For assessing TLR4-MyD88 inhibition, a protein-protein interaction ELISA or competitive binding assay using purified recombinant proteins may be employed, though such protocols are not publicly available.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: RAW264.7 cells Tested Concentrations: 0-10 μM Incubation Duration: 1 h Experimental Results: Inhibited LPS -mediated IL-6 production. RDR 02308 is used in cell-based assays to assess its effects on TLR4-mediated inflammatory responses. RAW264.7 murine macrophage cells are cultured in DMEM supplemented with 10% heat-inactivated FBS and 1% penicillin/streptomycin at 37degC with 5% CO2. Cells are seeded in 96-well plates at 2×10⁵ cells per well and allowed to attach overnight. The following day, the culture medium is replaced with fresh serum-free medium containing RDR 02308 at concentrations ranging from 0.01 to 10 microM (prepared from a DMSO stock; final DMSO ≤0.1%). Cells are pre-incubated with RDR 02308 for 1 hour at 37degC. After pre-incubation, LPS (from E. coli 0111:B4) is added at a final concentration of 100 ng/mL to stimulate TLR4 activation. Incubation continues for an additional 6-24 hours. After the stimulation period, cell culture supernatants are collected for cytokine measurement. IL-6 levels are quantified by ELISA using a commercial kit following the manufacturer's protocol. Cell viability is assessed in parallel using an MTT or CellTiter-Glo assay to exclude cytotoxic effects, typically by treating unstimulated cells with the same compound concentrations for 24 hours. |
| Animal Protocol |
There are no published in vivo animal protocols specific to RDR 02308. However, for compounds with similar mechanisms of action (TLR4-MyD88 inhibitors), typical protocols involve using C57BL/6 mice (6-8 weeks old, 20-25 g). The compound is dissolved in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween 80, 45% saline; or 0.5% methylcellulose) and administered via intraperitoneal (i.p.) injection at doses ranging from 1-30 mg/kg, typically 1-2 hours prior to an LPS challenge. For the LPS-induced endotoxemia model, mice receive an i.p. injection of LPS (e.g., 5-15 mg/kg). Blood is collected via cardiac puncture or tail vein at various time points (e.g., 1, 3, 6, 24 hours) post-LPS challenge, and serum cytokine levels (IL-6, TNF-alpha, IL-1beta) are measured by ELISA. For a beta-lactamase inhibition model, mice infected with a beta-lactamase-producing bacterial strain could be co-treated with RDR 02308 and a beta-lactam antibiotic to assess synergy in survival assays.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of RDR 02308 have not been reported in the literature. Based on its molecular weight (333.34) and predicted physicochemical properties (e.g., moderate lipophilicity), it is expected to have reasonable oral bioavailability, though no data is available to confirm this. For PK characterization, a standard protocol would involve intravenous (e.g., 1-2 mg/kg) and oral (e.g., 5-10 mg/kg) administration in rodents, with blood samples collected at multiple time points (0-24 hours) for LC-MS/MS quantification of plasma drug concentrations. Key parameters such as half-life (t1/2), Cmax, Tmax, AUC, clearance (CL), and volume of distribution (Vd) would be determined. As this compound is a research tool only, detailed PK studies have not been published.
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| Toxicity/Toxicokinetics |
The toxicity profile of RDR 02308 has not been systematically characterized in the literature. As a research-grade small molecule intended only for in vitro use, it has not undergone standard preclinical safety evaluations (e.g., acute toxicity, repeat-dose toxicity, genotoxicity, or safety pharmacology studies). For laboratory handling, standard precautions should be followed: the compound should be handled in a fume hood, with appropriate personal protective equipment (gloves, lab coat, goggles). The compound should be stored at -20degC in a dry, light-protected environment. Material Safety Data Sheet (MSDS) information is typically available from commercial suppliers. Based on its structure, there is no immediate indication of high acute toxicity, but detailed toxicological data is absent.
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| References | |
| Additional Infomation |
RDR 02308 is a research-grade small-molecule inhibitor primarily used for studying the TLR4-MyD88 pathway and beta-lactamase inhibition. It has not been approved for any clinical indications and is not intended for human therapeutic use. The compound is widely used as a research tool to investigate antibiotic resistance mechanisms and the role of the TLR4 signaling pathway in innate immunity and inflammation. As a dual-function inhibitor, it can simultaneously suppress inflammatory responses and enhance the efficacy of beta-lactam antibiotics. The compound is available through various commercial chemical vendors for research purposes only. No clinical trials or regulatory filings have been reported for this compound.
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| Molecular Formula |
C19H15N3O3
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|---|---|
| Molecular Weight |
333.340704202652
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| Exact Mass |
333.111
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| CAS # |
4155-82-2
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| PubChem CID |
564008
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| Appearance |
Yellow to orange solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
505
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1=C(C2=CC=C([N+]([O-])=O)C=C2)CC(C2=CC=CO2)N1C1=CC=CC=C1
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| InChi Key |
DCFSIJLWXJXSQC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
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| Chemical Name |
3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
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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 (299.99 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 | 2.9999 mL | 14.9997 mL | 29.9994 mL | |
| 5 mM | 0.6000 mL | 2.9999 mL | 5.9999 mL | |
| 10 mM | 0.3000 mL | 1.5000 mL | 2.9999 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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