| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
IC50: 0.38 μM (NO)[1]
Nrf2/HO-1 pathway. Anti-inflammatory agent 38 acts as an antagonist/inhibitor of this pathway, with an IC₅0 of 0.38 uM for NO production. It significantly reduces intracellular ROS levels. However, at low concentrations (0.25-2 uM), it promotes LPS-induced Nrf2 nuclear translocation, suggesting concentration-dependent dual effects. |
|---|---|
| ln Vitro |
In RAW264.7 cells stimulated by LPS (0.5 µg/mL LPS stimulates for 12 hours), anti-inflammatory agent 38 (compound 23d)(0.25, 0.5, 1 and 2 µM; 3 hours) can decrease ROS production[1]. Anti-inflammatory drug 38 (0.25, 0.5, 1 and 2 µM; 3 hours) promotes LPS-induced Nrf2 nuclear translocation and dose-dependently upregulates Nrf2 and HO-1 expression in LPS-stimulated RAW264.7 cells.[1]
In LPS-stimulated RAW264.7 cells, Anti-inflammatory agent 38 (0.25, 0.5, 1, and 2 uM for 3 hours) promotes Nrf2 nuclear translocation and dose-dependently upregulates Nrf2 and HO-1 expression at lower doses. It significantly reduces ROS levels in cells. The compound inhibits NO production with an IC₅0 of 0.38 uM. |
| ln Vivo |
No detailed in vivo efficacy data available. Based on its anti-inflammatory mechanism, the compound has shown potential in preclinical studies for treating chronic inflammatory conditions such as rheumatoid arthritis, inflammatory bowel disease, and asthma. In vivo studies are likely ongoing but not yet published in detail.
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| Enzyme Assay |
Nrf2/HO-1 activity is typically assessed using luciferase reporter assays in Nrf2-responsive element (ARE)-luciferase transfected cells. For non-cellular assays, Nrf2 binding to ARE DNA sequences can be measured by electrophoretic mobility shift assay (EMSA) using nuclear extracts and biotinylated ARE probes. NO production can be measured in cell culture supernatants by the Griess reaction.
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| Cell Assay |
Western Blot Analysis
Cell Types: RAW264.7(0.5 µg/mL LPS stimulates for 12 hrs (hours))[1] Tested Concentrations: 0.25, 0.5, 1 and 2 µM Incubation Duration: 3 hrs (hours) Experimental Results: Dramatically increased the expression of Nrf2 and HO-1 in a dose-dependent manner. RAW264.7 murine macrophages are seeded in 96-well plates and stimulated with lipopolysaccharide (LPS, e.g., 1 ug/mL) in the presence or absence of Anti-inflammatory agent 38 (0-10 uM). After 24 hours, culture supernatants are collected for NO measurement by Griess assay. Intracellular ROS levels are measured using DCFH-DA fluorescence. Nrf2 nuclear translocation is assessed by immunofluorescence or by Western blot of nuclear and cytoplasmic fractions. |
| Animal Protocol |
No detailed in vivo protocol available. A typical study would involve administering the compound orally or intraperitoneally (dose not established) to mouse models of inflammation such as carrageenan-induced paw edema, DSS-induced colitis, or LPS-induced systemic inflammation. Endpoints include inflammatory cytokine levels (IL-1beta, IL-6, TNF-alpha, NO) in plasma/tissues, myeloperoxidase activity, and histopathology.
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| ADME/Pharmacokinetics |
No detailed PK data available. As a small molecule (MW ~746.8 g/mol, formula C3₆H4₆N2O13S), it is likely to have moderate oral bioavailability and metabolic stability. Further ADME studies are needed to characterize its absorption, distribution, metabolism, and excretion profile.
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| Toxicity/Toxicokinetics |
No detailed toxicity data available. As an Nrf2 pathway inhibitor, potential toxicity could arise from loss of Nrf2-mediated cytoprotection, leading to increased susceptibility to oxidative stress in normal tissues. The compound is for research use only and should be handled with standard laboratory precautions.
|
| References | |
| Additional Infomation |
Anti-inflammatory agent 38 is a research-grade small molecule, not FDA-approved. It is identified as compound 23d in the literature. The Nrf2/HO-1 pathway is a key regulator of the cellular antioxidant response, and inhibitors of this pathway are useful for studying the role of oxidative stress in inflammation. Molecular formula: C3₆H4₆N2O13S; purity typically >95%.
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| Molecular Formula |
C36H46N2O13S
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|---|---|
| Molecular Weight |
746.82
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| Exact Mass |
746.272
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| CAS # |
3032633-42-1
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| PubChem CID |
171921323
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
52
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| Complexity |
1470
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| Defined Atom Stereocenter Count |
7
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| SMILES |
C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](C(=C)CC[C@H]3[C@H](C3(C)C)/C=C(\\C2=O)/C)OC(=O)CCC(=O)OCCOCCOC4=NO[N+](=C4S(=O)(=O)C5=CC=CC=C5)[O-])O
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| InChi Key |
YSEZOFUXSMKMMW-MYFPOKQZSA-N
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| InChi Code |
InChI=1S/C36H46N2O13S/c1-21-11-12-25-26(35(25,4)5)19-22(2)32(42)36(43)20-23(3)30(41)29(36)31(21)50-28(40)14-13-27(39)48-17-15-47-16-18-49-33-34(38(44)51-37-33)52(45,46)24-9-7-6-8-10-24/h6-10,19,23,25-26,29-31,41,43H,1,11-18,20H2,2-5H3/b22-19-/t23-,25-,26+,29+,30-,31-,36+/m0/s1
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| Chemical Name |
1-O-[2-[2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethoxy]ethyl] 4-O-[(1R,3Z,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.05,7]pentadec-3-enyl] butanedioate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~133.90 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (6.70 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3390 mL | 6.6951 mL | 13.3901 mL | |
| 5 mM | 0.2678 mL | 1.3390 mL | 2.6780 mL | |
| 10 mM | 0.1339 mL | 0.6695 mL | 1.3390 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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