| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
The primary target of IITR01324 is bacterial DNA. The compound exerts its antibacterial effect through a prodrug-like mechanism: after entering the bacterial cell, the nitrofuran moiety undergoes enzymatic reduction by intracellular nitroreductases (flavoproteins such as NfsA and NfsB in E. coli). The reduced intermediates-highly reactive species including nitro anions, nitroso derivatives, and hydroxylamino derivatives-cause extensive damage to bacterial DNA, including strand breaks, base modifications, and cross-links, ultimately leading to cell death. This mechanism of action is typical of the nitrofuran class and contributes to its broad-spectrum activity against Gram-negative bacteria.
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| ln Vitro |
In vitro, IITR01324 exhibits potent antibacterial activity against a range of Gram-negative bacteria, with especially strong activity against Enterobacteriaceae. Minimum inhibitory concentration (MIC) values: against Escherichia coli, the MIC is 3.58 mg/L; against Shigella flexneri, the MIC is 3.58 mg/L; and against Cronobacter sakazakii (formerly Enterobacter sakazakii), the MIC is 28.63 mg/L. The compound is also expected to be active against other Gram-negative pathogens. It exerts its antimicrobial activity by destroying bacterial DNA after activation by intracellular reductases, making it effective at relatively low concentrations against susceptible strains. These in vitro data support its potential for further development as an antibacterial agent, particularly for infections caused by MDR pathogens.
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| ln Vivo |
In vivo activity of IITR01324 has not been extensively characterized in the published literature. As a nitrofuran derivative, it shares a structural class with clinically used drugs such as nitrofurantoin (for urinary tract infections) and furazolidone (for gastrointestinal infections). However, IITR01324 itself is currently a research-use-only antimicrobial agent. Based on the mechanism of action observed in vitro, if administered systemically, the compound would be expected to undergo reduction by bacterial nitroreductases to reactive intermediates that damage bacterial DNA. Further in vivo studies in animal models of infection would be required to establish efficacy, pharmacokinetics, and safety.
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| Enzyme Assay |
Non-cellular biochemical assays for IITR01324 are limited, as the compound is an antimicrobial agent that requires bacterial nitroreductase enzymes for activation. Cell-free assays to study the reduction of nitrofurans can be performed using purified nitroreductase enzymes (e.g., E. coli NfsA or NfsB) in the presence of NADPH as the electron donor. A typical protocol involves incubating IITR01324 (10-100 microM) with recombinant NfsA or NfsB (0.1-1 microM) in 100 mM sodium phosphate buffer (pH 7.0) containing 100 microM NADPH at 37degC for 0-60 minutes. The reaction is stopped by adding an equal volume of ice-cold methanol, and the consumption of NADPH is monitored spectrophotometrically at 340 nm as a measure of reductase activity. Alternatively, the formation of reduction products can be monitored by HPLC or LC-MS.
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| Cell Assay |
Cell-based experiments for IITR01324 evaluate its antimicrobial activity against bacterial strains. A standard broth microdilution assay according to CLSI guidelines: bacterial cultures (e.g., E. coli ATCC 25922, S. flexneri, C. sakazakii) are grown overnight in Mueller-Hinton broth (MHB) at 37degC with shaking. Cultures are diluted to approximately 5 × 10⁵ CFU/mL in MHB. Serial two-fold dilutions of IITR01324 (starting concentration 64-256 mg/L, depending on expected MIC) are prepared in 96-well round-bottom plates in MHB. An equal volume of bacterial suspension (100 microL) is added to each well to achieve a final volume of 200 microL per well. A positive control (no compound) and a sterility control are included. Plates are incubated at 37degC for 18-24 hours. The MIC is defined as the lowest concentration of compound that completely inhibits visible bacterial growth (no turbidity). After MIC reading, 10 microL from wells with no visible growth is spotted onto MHB agar plates and incubated at 37degC for 24 hours. The minimum bactericidal concentration (MBC) is defined as the lowest concentration that kills ≥99.9% of the initial bacterial inoculum.
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| Animal Protocol |
In vivo animal experiments for IITR01324 have not been extensively reported in the literature. For the development of novel antibacterial agents, a typical protocol in a murine sepsis model would be used: female CD-1 mice (6-8 weeks old, 20-25 g) are inoculated intraperitoneally with a lethal dose of E. coli (approximately 1-5 × 10⁷ CFU/mouse, suspended in 5% mucin to enhance virulence). One hour post-inoculation, IITR01324 is administered intravenously or intraperitoneally at various doses (e.g., 5, 10, 25, 50 mg/kg). Control groups receive vehicle (e.g., 5% DMSO in saline) or a positive control antibiotic (e.g., ciprofloxacin 10 mg/kg). Survival is monitored for 7-14 days, and the median effective dose (ED₅0) is calculated by probit analysis. For tissue burden studies, animals are sacrificed at 24 hours, and bacterial counts (CFU) in blood, liver, and spleen are determined by serial dilution plating on MHB agar.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of IITR01324 have not been fully characterized in the published literature. As a nitrofuran derivative, the compound is likely to be absorbed after oral administration (nitrofurantoin has an oral bioavailability of approximately 40-50%). The compound is typically stored as a powder at -20degC for up to 3 years and in solution at -80degC for up to 6 months. It is soluble in DMSO at concentrations needed for in vitro assays. For in vivo formulation, common injection formulations include: (1) DMSO : Tween 80 : Saline = 10 : 5 : 85 (e.g., IP/IV/IM/SC), (2) DMSO : PEG300 : Tween 80 : Saline = 10 : 40 : 5 : 45, or (3) DMSO : Corn oil = 10 : 90. The compound is stable at room temperature for several days during ordinary shipping. The predicted logP value suggests moderate lipophilicity, which may influence tissue distribution.
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| Toxicity/Toxicokinetics |
The toxicity profile of IITR01324 has not been extensively characterized. As a nitrofuran derivative, the class is generally known to have acceptable safety profiles when used as antibiotics (e.g., nitrofurantoin is associated with gastrointestinal disturbances, peripheral neuropathy, and rare cases of pulmonary toxicity, hepatotoxicity, and hemolytic anemia in G6PD deficiency). For IITR01324 itself, standard chemical safety precautions apply as a research-use-only antimicrobial agent. The compound may cause skin and eye irritation and may be harmful if swallowed, inhaled, or absorbed through the skin. It should be handled in a well-ventilated area (chemical fume hood) with appropriate PPE (lab coat, gloves, safety goggles). Detailed acute oral toxicity data and GHS hazard classifications are not available from the current literature.
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| References | |
| Additional Infomation |
Additional information: IITR01324 is supplied as an analytical standard for research and analytical applications. Its molecular formula is C₉H₉NO₇, molecular weight 243.17 g/mol, and it has an HS Tariff Code of 2934.99.9001. The compound is typically a solid at room temperature and is stored in sealed containers under recommended storage conditions. It is available through chemical suppliers including InvivoChem. Synonyms include 5-nitrofurfural diethyl diacetal and diethyl 5-nitrofurfural. IITR01324 can be used to study the development of novel antibacterial drugs, especially targeted therapies against multidrug-resistant (MDR) pathogens. The product is for research use only and is not for human or veterinary use. For additional research, the user may refer to the certificate of analysis for batch-specific purity data and storage recommendations.
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| Molecular Formula |
C9H9NO7
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| Molecular Weight |
243.17
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| Exact Mass |
243.038
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| CAS # |
92-55-7
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| PubChem CID |
7097
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
17
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| Complexity |
308
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
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| InChi Key |
HSXKWKJCZNRMJO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3
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| Chemical Name |
[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
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| Synonyms |
Diethyl 5-nitrofurfural (Standard)
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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 | 4.1123 mL | 20.5617 mL | 41.1235 mL | |
| 5 mM | 0.8225 mL | 4.1123 mL | 8.2247 mL | |
| 10 mM | 0.4112 mL | 2.0562 mL | 4.1123 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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