| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
ROS inducer 1 targets bacterial cells by inducing the production of reactive oxygen species (ROS). The compound exhibits bactericidal activity against Xanthomonas species. Its mechanism involves the generation of ROS within bacterial cells, leading to oxidative damage and cell death. The compound's activity is directed against plant-pathogenic bacteria, making it a potential agent for agricultural applications.
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| ln Vitro |
ROS inducer 1 demonstrates potent in vitro bactericidal activity against Xanthomonas species. It has EC50 values of 5.73, 6.62, and 6.62 μg/mL against Xanthomonas axonopodis pv. citri (Xac), and 9.05 μg/mL against Xanthomonas oryzae pv. oryzae. The compound effectively induces ROS production in Xanthomonas cells and inhibits rice bacterial blight. These results demonstrate the compound's potential as a bactericide for crop protection.
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| ln Vivo |
In vivo activity of ROS inducer 1 has been demonstrated in the inhibition of rice bacterial blight, a disease caused by Xanthomonas oryzae. The compound's ability to induce ROS production and inhibit bacterial growth suggests potential for agricultural applications in controlling bacterial infections in crops. Further field studies are needed to evaluate its efficacy under real-world conditions.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for ROS inducer 1 are not typically performed, as the compound's mechanism involves induction of ROS rather than binding to a specific enzyme or receptor. However, its effects on bacterial oxidative stress pathways could be assessed by measuring ROS levels using fluorescent probes such as DCFH-DA.
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| Cell Assay |
In vitro cellular assays for ROS inducer 1 involve culturing Xanthomonas cells in the presence of varying concentrations of the compound. ROS production is measured using fluorescent probes such as DCFH-DA. Bacterial growth inhibition is assessed by measuring optical density or colony counting. The EC50 values are determined from dose-response curves.
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| Animal Protocol |
In vivo animal experiments for ROS inducer 1 are not applicable, as the compound is intended for agricultural applications in plants rather than animal models. In vivo efficacy is evaluated in plant models of bacterial infection, such as rice plants infected with Xanthomonas oryzae. Disease severity is assessed by measuring lesion size or bacterial load in plant tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ROS inducer 1 are not typically characterized, as the compound is intended for agricultural use rather than therapeutic applications. Its stability and persistence in the environment and on plant surfaces would be relevant for agricultural efficacy. Further studies are needed to determine its environmental fate and degradation.
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| Toxicity/Toxicokinetics |
Toxicological data for ROS inducer 1 are limited. As a bactericide intended for agricultural use, its toxicity to non-target organisms and environmental safety would be important considerations. Standard laboratory safety precautions should be followed when handling this compound. It is intended for research use only.
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| References |
[1]. Liu HW, et al. Discovery and Structural Optimization of 1,2,3,4-Tetrahydro-β-carbolines as Novel Reactive Oxygen Species Inducers for Controlling Intractable Plant Bacterial Diseases. J Agric Food Chem. 2023 Jul 26;71(29):11035-11047.
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| Additional Infomation |
ROS inducer 1 (CAS#: 2921602-31-3) is a small molecule bactericide that induces ROS production in Xanthomonas cells. Its molecular formula is C24H27FN4O. The compound has EC50 values of 5.73-9.05 μg/mL against Xanthomonas species and inhibits rice bacterial blight. It is used in agricultural research for studying bacterial infections in crops.
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| Molecular Formula |
C24H27FN4O
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|---|---|
| Molecular Weight |
406.495788812637
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| Exact Mass |
406.22
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| Elemental Analysis |
C, 70.91; H, 6.70; F, 4.67; N, 13.78; O, 3.94
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| CAS # |
2921602-31-3
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| PubChem CID |
168476170
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
588
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)CCN4CCN(CC4)C5=CC=C(C=C5)F
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| InChi Key |
RSIKPNFDYSSUMS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H27FN4O/c25-18-5-7-19(8-6-18)28-15-13-27(14-16-28)11-10-24(30)29-12-9-21-20-3-1-2-4-22(20)26-23(21)17-29/h1-8,26H,9-17H2
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| Chemical Name |
3-(4-(4-fluorophenyl)piperazin-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)propan-1-one
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| Synonyms |
ROS inducer 1; ROS inducer-1; ROS inducer1
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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 | 2.4600 mL | 12.3001 mL | 24.6002 mL | |
| 5 mM | 0.4920 mL | 2.4600 mL | 4.9200 mL | |
| 10 mM | 0.2460 mL | 1.2300 mL | 2.4600 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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