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Description: Potent and selective hCXCR6 antagonist
Chemical Name: N-[(1R,3S,5S)-9-(2-((2-Chlorophenyl)amino)-2-exoethyl)-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,5-trimethoxybenzamide
Purity: ≥98% (HPLC)
Biological Activity for ML 339
ML 339 is a potent and selective hCXCR6 antagonist (IC50 = 140 nM); 100-fold less active at the murine CXCR6 receptor (IC50 = 18 μM). Exhibits selectivity over CXCR5, CXCR4, CCR6 and APJ receptors (IC50 >79 μM).
Compound Libraries for ML 339
ML 339 is also offered as part of the Tocriscreen 2.0 Max and Tocriscreen Antiviral Library. Find out more about compound libraries available from Tocris.
Technical Data for ML 339
| M. Wt | 502 |
| Formula | C26H32ClN3O5 |
| Storage | Store at +4°C |
| Purity | ≥98% (HPLC) |
| CAS Number | 2080300-49-6 |
| PubChem ID | 60202254 |
| InChI Key | SSPYAPRDKNCABY-UHFFFAOYSA-N |
| Smiles | O=C(NC1=C(Cl)C=CC=C1)CN2[C@H]3CCC[C@@H]2C[C@](NC(C4=CC(OC)=C(OC)C(OC)=C4)=O)([H])C3 |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
Tocris products are intended for laboratory research use only, unless stated otherwise.
Solubility Data for ML 339
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 50.2 | 100 | |
| ethanol | 10.04 | 20 |
Preparing Stock Solutions for ML 339
The following data is based on the product molecular weight 502. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.99 mL | 9.96 mL | 19.92 mL |
| 5 mM | 0.4 mL | 1.99 mL | 3.98 mL |
| 10 mM | 0.2 mL | 1 mL | 1.99 mL |
| 50 mM | 0.04 mL | 0.2 mL | 0.4 mL |
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Product Datasheets for ML 339
References for ML 339
References are publications that support the biological activity of the product.
Hershberger et al (2012) Probing the CXCR6/CXCL16 Axis: targeting prevention of prostate cancer metastasis. Probe Reports from the NIH Molecular Libraries Program PMID: 24049849
If you know of a relevant reference for ML 339, please let us know.
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Keywords: ML 339, ML 339 supplier, ML339, Potent, human, CXCR6, antagonists, antagonism, metastasis, Chemokine, CXC, Receptors, 5943, Tocris Bioscience
Citations for ML 339
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Literature in this Area
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