ICT5040

Names

[ Name ]:
ICT5040

[Synonym ]:
Pyridine, 2-methyl-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-
2-(methylthio)-5-[2-methyl-6-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
2-Methyl-3-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridine
2-Methyl-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridine

Biological Activity

[Description]:

ICT5040 is a small molecule CXCR4 antagonist (IC50=3.8 μM). ICT5040 inhibits CXCL12-mediated proliferation and migration, and suppresses CXCL12-induced intracellular calcium mobilisation in U87 glioma cells[1].

[Related Catalog]:

Research Areas >> Cancer

Signaling Pathways >> GPCR/G Protein >> CXCR

Signaling Pathways >> Immunology/Inflammation >> CXCR

[Target]

CXCR4:3.8 μM (IC50)

[In Vitro]

ICT5040 (1-100 μM; 0-4 d) 剂量依赖性地抑制 CXCL12 诱导的 U87 胶质瘤细胞的增殖和迁移[1]。 ICT5040 在 U87 胶质瘤细胞中降低 CXCL12 诱导的细胞内钙动员[1]。 Cell Migration Assay [1] Cell Line: U87-glioma cells Concentration: 1 μM, 10 μM, 100 μM; with 100 ng/mL CXCL12 Incubation Time: 0, 1, 2, 3, and 4 days Result: Resulted reduction of CXCL12 induced proliferation and migration of U87 cells at day 3.

[References]

[1]. Vinader V, et al. Discovery and computer aided potency optimization of a novel class of small molecule CXCR4 antagonists. PLoS One. 2013 Oct 18;8(10):e78744.

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
343.5±52.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₀H₈F₃N₃OS

[ Molecular Weight ]:
275.250

[ Flash Point ]:
161.5±30.7 °C

[ Exact Mass ]:
275.034027

[ LogP ]:
3.75

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.543