9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)-
- Product Name
- 9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)-
- CAS No.
- 2579689-83-9
- Chemical Name
- 9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)-
- Synonyms
- ML339, 10 mM in DMSO;prostate,cancer,CXC chemokine receptors,CXCR,inhibit,CXCR6,ML339,ML 339,Inhibitor,ML-339;N-[(1R,5S)-9-{[(2-chlorophenyl)carbamoyl]methyl}-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide;(3-exo)-N-(9-(2-((2-Chlorophenyl)amino)-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,5-trimethoxybenzamide
- CBNumber
- CB09950490
- Molecular Formula
- C26H32ClN3O5
- Formula Weight
- 502.01
- MOL File
- 2579689-83-9.mol
9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)- Property
- Boiling point:
- 645.1±55.0 °C(Predicted)
- Density
- 1.30±0.1 g/cm3(Predicted)
- pka
- 13.58±0.20(Predicted)
- form
- Solid
- color
- White to off-white
9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)- Chemical Properties,Usage,Production
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
9-Azabicyclo[3.3.1]nonane-9-acetamide, N-(2-chlorophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-, (3-exo)- Preparation Products And Raw materials
Raw materials
Preparation Products
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