| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Anti-inflammatory agent 51 targets the NF-κB signaling pathway. It inhibits the activation of NF-κB, a key transcription factor involved in inflammatory responses. By suppressing NF-κB signaling, the compound reduces the expression of pro-inflammatory cytokines and tissue damage.
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| ln Vitro |
In vitro, Anti-inflammatory agent 51 potently reduces the release of IL-6 (IC50 = 0.61 μM) and TNF-α (IC50 = 4.34 μM) in J774A.1 cells. It decreases cytokine mRNA levels, demonstrating its ability to suppress inflammatory gene expression at the transcriptional level. These effects are mediated through inhibition of NF-κB activation.
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| ln Vivo |
In vivo, Anti-inflammatory agent 51 (compound 11d) ameliorates LPS-induced acute lung injury (ALI) and alleviates DSS-induced ulcerative colitis in mice. These findings demonstrate the compound's efficacy in two distinct models of inflammatory disease, supporting its potential for treating inflammatory conditions.
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| Enzyme Assay |
The binding of Anti-inflammatory agent 51 to its target is assessed using biochemical assays such as electrophoretic mobility shift assays (EMSA) to evaluate NF-κB DNA binding activity. Alternatively, reporter gene assays using NF-κB-responsive luciferase constructs can be employed to assess the compound's ability to inhibit NF-κB transcriptional activity in cell-based systems.
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| Cell Assay |
Cellular assays for Anti-inflammatory agent 51 are performed using macrophage cell lines such as J774A.1. Cells are pre-treated with the compound and then stimulated with LPS to induce inflammatory responses. Cytokine release (IL-6 and TNF-α) is measured by ELISA. Cytokine mRNA levels are assessed by qRT-PCR. NF-κB activation is evaluated by measuring IκBα degradation and NF-κB p65 nuclear translocation by Western blotting.
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| Animal Protocol |
In vivo studies of Anti-inflammatory agent 51 are conducted in mouse models of acute lung injury (LPS-induced) and ulcerative colitis (DSS-induced). The compound is administered via intraperitoneal (i.p.) injection or oral gavage. In the ALI model, lung inflammation and injury are assessed by histology and bronchoalveolar lavage fluid (BALF) analysis. In the colitis model, disease activity index, colon length, and histology are evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Anti-inflammatory agent 51 (molecular weight 498.51) are evaluated in rodents following administration. The compound is formulated in suitable vehicles. Plasma and tissue concentrations are measured using LC-MS/MS to determine key PK parameters including oral bioavailability, half-life, and tissue distribution.
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| Toxicity/Toxicokinetics |
Anti-inflammatory agent 51 is intended for research use only and is not approved for clinical use. Standard toxicology assessments would include acute and repeat-dose toxicity studies in rodents. No specific toxicity data is available in the public domain for this compound.
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| Additional Infomation |
Anti-inflammatory agent 51 is a research tool for studying NF-κB-mediated inflammatory responses and evaluating the therapeutic potential of NF-κB inhibitors. NF-κB is a master regulator of inflammation and is implicated in numerous inflammatory diseases including acute lung injury, ulcerative colitis, rheumatoid arthritis, and cancer. This compound provides a valuable tool for validating NF-κB as a therapeutic target.
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| Molecular Formula |
C22H22N6O6S
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|---|---|
| Molecular Weight |
498.511682987213
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| Exact Mass |
498.13
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| Elemental Analysis |
C, 53.01; H, 4.45; N, 16.86; O, 19.26; S, 6.43
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| CAS # |
2911610-03-0
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| PubChem CID |
167440168
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| Appearance |
Yellow to orange solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
827
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=CC=N4)[N+](=O)[O-]
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| InChi Key |
OPKZZQWLEPMJKK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22N6O6S/c29-27(30)19-6-4-18(5-7-19)25-11-13-26(14-12-25)21-9-8-20(15-22(21)28(31)32)35(33,34)24-16-17-3-1-2-10-23-17/h1-10,15,24H,11-14,16H2
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| Chemical Name |
3-nitro-4-(4-(4-nitrophenyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
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| Synonyms |
Anti-inflammatory agent 51; Anti-inflammatory agent-51; Anti-inflammatory-agent 51
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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 | 2.0060 mL | 10.0299 mL | 20.0598 mL | |
| 5 mM | 0.4012 mL | 2.0060 mL | 4.0120 mL | |
| 10 mM | 0.2006 mL | 1.0030 mL | 2.0060 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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