| Identification | Back Directory | [Name]
9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)- | [CAS]
2579689-83-9 | [Synonyms]
| [Molecular Formula]
C26H32ClN3O5 | [MDL Number]
MFCD30720892 | [MOL File]
2579689-83-9.mol | [Molecular Weight]
502.01 |
| Chemical Properties | Back Directory | [Boiling point ]
645.1±55.0 °C(Predicted) | [density ]
1.30±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
13.58±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
ML-339 is a potent and selective hCXCR6 antagonist (IC50 = 140 nM). | [Uses]
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 shows weaker activity against the recruitment of β-arrestin in mouse CXCR6 receptors, with an IC50 of 18 μM. 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]. | [IC 50]
CXCR6: 140 nM (IC50) | [References]
[1] Paul M Hershberger, et al. Probing the CXCR6/CXCL16 Axis: Targeting Prevention of Prostate Cancer Metastasis. PMID:24049849
[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. DOI:10.1016/j.bmcl.2019.126899 |
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