| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
This compound is an inverse agonist of the nuclear receptor RORgammat. By binding to RORgammat, it stabilizes the receptor in an inactive conformation and suppresses its transcriptional activity, which reduces the expression of pro-inflammatory genes, particularly the IL-17 cytokine family that is central to autoimmunity.
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| ln Vitro |
In vitro data is limited. As a potent RORgammat inverse agonist, it functions by binding to the receptor and stabilizing an inactive conformation, effectively repressing its basal transcriptional activity. This is a key mechanism for downregulating Th17 cell differentiation and the production of IL-17, a primary driver in many autoimmune diseases.
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| ln Vivo |
In vivo data for this specific compound is not publicly available. As a selective RORgammat inverse agonist, it is primarily being explored in preclinical models of autoimmune and inflammatory diseases such as psoriasis, rheumatoid arthritis, and multiple sclerosis, where Th17 cells and IL-17 are pathogenic drivers.
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| Enzyme Assay |
Cell-free RORgammat binding assays are performed using a time-resolved fluorescence resonance energy transfer (TR-FRET) format. The assay uses a GST-tagged RORgammat ligand-binding domain (LBD) and a terbium-labeled anti-GST antibody with a fluorescein-labeled coactivator peptide. The inverse agonist activity is measured by its ability to disrupt the agonist-induced interaction, resulting in a loss of FRET signal.
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| Cell Assay |
Cellular assays are conducted using a luciferase reporter system. A cell line is transfected with a GAL4 DNA-binding domain-RORgammat ligand-binding domain (LBD) fusion protein and a luciferase reporter gene under the control of a GAL4 response element. Cells are treated with the compound, and luciferase activity is measured to determine the half-maximal inhibitory concentration (IC50).
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| Animal Protocol |
In vivo data is not available for this research compound. As a laboratory chemical for cell-based and in vitro studies, it is not typically formulated for animal pharmacokinetic or efficacy studies in a standard research setting.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties are not documented. As a laboratory chemical primarily for in vitro use, ADME (Absorption, Distribution, Metabolism, Excretion) data are not typically required or reported.
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| Toxicity/Toxicokinetics |
Toxicological and safety profiles have not been formally established. This compound is intended for research use only and is not for human consumption. Standard safety precautions for handling bioactive small molecules and fine chemicals should be followed.
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| References | |
| Additional Infomation |
RORgammat inverse agonist 23 is a chemical probe for studying the RORgammat-driven Th17 signaling pathway, which is a validated therapeutic target in several autoimmune diseases. Unlike antagonists that just block activation, inverse agonists actively suppress baseline activity, potentially offering greater therapeutic benefit for conditions driven by RORgammat-overactive states.
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| Molecular Formula |
C26H33NO5S
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|---|---|
| Molecular Weight |
471.61
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| Exact Mass |
471.207
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| CAS # |
2230779-18-5
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| PubChem CID |
142380380
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| Appearance |
White to off-white solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
736
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC1N(C1C=CC(CC)=CC=1)S(=O)(=O)C1=CC=C2C(=C1)C(O)CC(C1CCOCC1)O2
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| InChi Key |
NIQAXHRTVPHVOC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H33NO5S/c1-2-18-6-8-21(9-7-18)27(20-4-3-5-20)33(29,30)22-10-11-25-23(16-22)24(28)17-26(32-25)19-12-14-31-15-13-19/h6-11,16,19-20,24,26,28H,2-5,12-15,17H2,1H3
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| Chemical Name |
N-cyclobutyl-N-(4-ethylphenyl)-4-hydroxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (212.04 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.30 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.30 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 25.0 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 | 2.1204 mL | 10.6020 mL | 21.2040 mL | |
| 5 mM | 0.4241 mL | 2.1204 mL | 4.2408 mL | |
| 10 mM | 0.2120 mL | 1.0602 mL | 2.1204 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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