588674-64-0

588674-64-0 structure

Name: 2-Benzofurancarboxamide,3-methyl-N-[4-(trifluoromethyl)phenyl]-(9CI)
Chemical Name: 3-Methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CAS Number: 588674-64-0
Molecular Formula: C₁₇H₁₂F₃NO₂
Molecular Weight: 319.278
Catalog: Signaling Pathways GPCR/G Protein CCR
Create Date: 2021-09-16 03:34:05
Modify Date: 2024-01-06 13:14:15
CCR6 antagonist 1 is a CCR6 antagonist that inhibits the CCL20/CCR6 axis. CCR6 antagonist 1 can be used in the research of autoimmune-mediated inflammatory diseases, such as inflammatory bowel diseases (IBDs)[1].

Name	3-Methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
Synonyms	2-Benzofurancarboxamide, 3-methyl-N-[4-(trifluoromethyl)phenyl]- 3-Methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide MFCD03943591

Description	CCR6 antagonist 1 is a CCR6 antagonist that inhibits the CCL20/CCR6 axis. CCR6 antagonist 1 can be used in the research of autoimmune-mediated inflammatory diseases, such as inflammatory bowel diseases (IBDs)[1].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> CCR Signaling Pathways >> Immunology/Inflammation >> CCR Research Areas >> Inflammation/Immunology
Target	CCR6
In Vitro	CCR6 antagonist 1 (compound 1b, 50 μM, 3 h) blocks the CCL20-induced CD4+ T cell migration[1]. CCR6 antagonist 1 (30 nM-300 μM, 20 min) inhibits miniGi recruitment to CCR6 induced by CCL20, and β-arrestin-1 recruitment to CCR6 and CCR5 by CCL20 and CCL5 (5 nM), respectively[1]. Cell Migration Assay [1] Cell Line: CCL20 (500 ng/mL)-induced CCR6+CD4+ T cell Concentration: 0.5, 5, 50 μM Incubation Time: 3 h Result: Inhibited CCL20-induced cell migration at 50 μM.
In Vivo	CCR6 antagonist 1 (compound 1b, 1 mg/kg, s.c., twice daily for 3 days) alleviates TNBS-induced inflammatory responses in mice[1]. CCR6 antagonist 1 (1 mg/kg, s.c., twice, before and after zymosan treatment) shows anti-inflammatory effects in Zymosan-induced peritonitis mice[1]. Animal Model: Murine model of colitis (5 mg/mouse TNBS-induced)[1] Dosage: 1 mg/kg Administration: Subcutaneous injection (s.c.), twice daily for 3 days. Result: Improved mice general conditions, attenuated macroscopic injury and counteracted neutrophils infiltration, both in the colon and in lungs. Animal Model: Zymosan-induced peritonitis mice[1] Dosage: 1 mg/kg Administration: Subcutaneous injection (s.c.), twice, before and after zymosan treatment Result: Significantly reduced the total protein content and myeloperoxidase activity in the peritoneal lavage.
References	[1]. Maria Grazia Martina, et al. Discovery of small-molecules targeting the CCL20/CCR6 axis as first-in-class inhibitors for inflammatory bowel diseases. Eur J Med Chem. 2022 Aug 29;243:114703.

Density	1.4±0.1 g/cm3
Boiling Point	345.9±42.0 °C at 760 mmHg
Molecular Formula	C₁₇H₁₂F₃NO₂
Molecular Weight	319.278
Flash Point	163.0±27.9 °C
Exact Mass	319.082001
LogP	4.18
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.604

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