| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
CCR6 antagonist 1 targets the chemokine receptor CCR6 (C-C chemokine receptor type 6), a G protein-coupled receptor that is activated by its endogenous ligand CCL20. The CCL20/CCR6 axis plays a critical role in the recruitment of immune cells, particularly Th17 cells and dendritic cells, to sites of inflammation. By blocking CCR6, the antagonist prevents CCL20-mediated chemotaxis and downstream signaling, thereby reducing inflammatory cell infiltration in autoimmune diseases such as IBD.
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| ln Vitro |
The movement of CD4+ T cells generated by CCL20 is aggregated by CCR6 Antagonist 1 (Compound 1b, 50 μM, 3 hours) [1]. The CCR6 antagonist 1 (30 nM-300 μM, 20 min) inhibits the recruitment of miniGi to CCR6 induced by CCL20, as well as the recruitment of β-arrestin-1 to CCR6 and CCR5 (5 nM) induced by CCL20 and CCL5 [1].
In vitro, CCR6 antagonist 1 inhibits CCL20-induced CCR6 signaling. The compound has been evaluated in receptor binding and functional assays to confirm its antagonistic activity. It can be used to study the role of the CCL20/CCR6 axis in immune cell migration and inflammatory responses. The compound's activity is typically assessed using calcium flux assays, chemotaxis assays, or receptor internalization assays in CCR6-expressing cell lines. No specific IC50 values have been reported in the available literature. |
| ln Vivo |
CCR6 antagonist 1 (Compound 1b, 1 mg/kg, subcutaneous injection twice daily for 3 days) attenuates the trigger response of TNBS sensors [1]. CCR6 Antagonist 1 (1 mg/kg, sc, twice,
In vivo, CCR6 antagonist 1 has potential for use in autoimmune-mediated inflammatory disease models such as inflammatory bowel diseases. By inhibiting the CCL20/CCR6 axis, the compound may reduce immune cell infiltration into inflamed tissues and attenuate disease pathology. Specific in vivo efficacy data for CCR6 antagonist 1 have not been detailed in the available literature, but the compound is designed for research into IBD and other autoimmune conditions. Further preclinical studies would be required. |
| Enzyme Assay |
For receptor binding assays, membrane preparations from cells expressing human CCR6 are incubated with radiolabeled CCL20 or other ligands at various concentrations of CCR6 antagonist 1 (typically 30 nM-300 µM). Nonspecific binding is determined in the presence of excess unlabeled CCL20. Bound radioligand is separated by filtration and radioactivity is quantified by scintillation counting to determine binding affinity (Ki) and inhibition constants.
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| Cell Assay |
Cell migration assay [1]
Cell Types: CCR6+CD4+ T cells induced by CCL20 (500 ng/mL) Tested Concentrations: 0.5, 5, 50 μM Incubation Duration: 3 hrs (hours) Experimental Results: Inhibition of CCL20-induced cell migration at 50 μM. For functional assays, CCR6-expressing cells (such as Jurkat T cells or primary lymphocytes) are loaded with calcium-sensitive fluorescent dyes (such as Fluo-4). Cells are pre-incubated with CCR6 antagonist 1 at various concentrations for 10-20 minutes, then stimulated with CCL20. Calcium flux is measured by flow cytometry or fluorescence plate reader. IC50 values are calculated from dose-response curves of inhibition of CCL20-induced calcium mobilization. Chemotaxis assays can also be performed using transwell plates. |
| Animal Protocol |
Animal/Disease Models: Zymosan-induced peritonitis in mice[1]
Doses: 1 mg/kg Route of Administration: subcutaneous injection, twice, before and after zymosan treatment Experimental Results: Dramatically diminished total protein content and myeloperoxidase activity in peritoneal lavage fluid. For in vivo studies, animal models of inflammatory bowel disease (such as DSS-induced colitis or TNBS-induced colitis in mice) would be used. Mice are administered CCR6 antagonist 1 via oral or intraperitoneal routes at doses determined from PK studies. Disease activity indices, body weight, colon length, and histological scores are assessed. Immune cell infiltration into colonic tissues is evaluated by flow cytometry or immunohistochemistry. Cytokine levels in colon tissues are measured by ELISA to confirm anti-inflammatory effects. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of CCR6 antagonist 1 have not been detailed in the available literature. The compound is a small molecule with molecular weight of 319.28 g/mol, suggesting potential for oral bioavailability pending formulation development. Standard PK studies including half-life, Cmax, AUC, and protein binding would be required to fully characterize its pharmacokinetic profile. The compound is typically stored at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
Toxicological data for CCR6 antagonist 1 have not been reported in the available literature. As a research compound, it is intended for laboratory use only and is not for human or veterinary use. Standard safety precautions should be followed when handling this compound. Comprehensive toxicology studies would be required before clinical development.
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| References | |
| Additional Infomation |
CCR6 antagonist 1 is a small-molecule antagonist of the CCR6 receptor that inhibits the CCL20/CCR6 chemokine signaling axis. It has potential applications in research on autoimmune-mediated inflammatory diseases, particularly inflammatory bowel diseases (IBDs). The compound blocks CCL20-induced CCR6 activation, reducing immune cell recruitment to sites of inflammation. It is a research tool for studying CCR6 biology and is not approved for clinical use.
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| Molecular Formula |
C17H12F3NO2
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|---|---|
| Molecular Weight |
319.277894973755
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| Exact Mass |
319.082
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| CAS # |
588674-64-0
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| PubChem CID |
4504520
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
345.9±42.0 °C at 760 mmHg
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| Flash Point |
163.0±27.9 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.604
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| LogP |
4.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
23
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| Complexity |
432
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)C(F)(F)F
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| InChi Key |
VHAWUBMHTMNOJC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12F3NO2/c1-10-13-4-2-3-5-14(13)23-15(10)16(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,1H3,(H,21,22)
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| Chemical Name |
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
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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) |
DMSO : ≥ 100 mg/mL (~313.20 mM)
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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 | 3.1320 mL | 15.6602 mL | 31.3205 mL | |
| 5 mM | 0.6264 mL | 3.1320 mL | 6.2641 mL | |
| 10 mM | 0.3132 mL | 1.5660 mL | 3.1320 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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