For research use only. Not for therapeutic Use.
ML339 is a selective CXCR6 antagonist with an IC50 of 140 nM. ML339 antagonizes β-arrestin recruitment and cAMP signaling pathway of human CXCR6 receptor induced by CXCL16, with IC50 of 0.3 μM and 1.4 μM, respectively. ML339 has no inhibitory effect on CXCR5，CXCR4，CXCR6 and apelin receptor (APJ), with IC50 >79 μM. ML339 has the potential to promote the development of prostate cancer research[1][2].
| Catalog Number | I045836 |
| CAS Number | 2579689-83-9 |
| Synonyms | N-[(1S,5R)-9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide |
| Molecular Formula | C26H32ClN3O5 |
| Purity | ≥95% |
| InChI | InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17?,18-,19+ |
| InChIKey | SSPYAPRDKNCABY-YQQQUEKLSA-N |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4Cl |
| Reference | [1]. Paul M Hershberger, et al. Probing the CXCR6/CXCL16 Axis: Targeting Prevention of Prostate Cancer Metastasis. [2]. Peddibhotla S, et al. Discovery of small molecule antagonists of chemokine receptor CXCR6 that arrest tumor growth in SK-HEP-1 mouse xenografts as a model of hepatocellular carcinoma. Bioorg Med Chem Lett. 2020 Feb 15;30(4):126899. |
