ChemicalBook--->CAS DataBase List--->588674-64-0

588674-64-0

588674-64-0 Structure

588674-64-0 Structure
IdentificationBack Directory
[Name]

2-Benzofurancarboxamide,3-methyl-N-[4-(trifluoromethyl)phenyl]-(9CI)
[CAS]

588674-64-0
[Synonyms]

CCR6 antagonist 1
2-Benzofurancarboxamide, 3-methyl-N-[4-(trifluoromethyl)phenyl]-
2-Benzofurancarboxamide,3-methyl-N-[4-(trifluoromethyl)phenyl]-(9CI)
[Molecular Formula]

C17H12F3NO2
[MOL File]

588674-64-0.mol
[Molecular Weight]

319.28
Chemical PropertiesBack Directory
[Boiling point ]

345.9±42.0 °C(Predicted)
[density ]

1.358±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 100 mg/mL (313.20 mM)
[form ]

Solid
[pka]

12.24±0.70(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

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].
[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.
[IC 50]

CCR6
[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. DOI:10.1016/j.ejmech.2022.114703
Spectrum DetailBack Directory
[Spectrum Detail]

2-Benzofurancarboxamide,3-methyl-N-[4-(trifluoromethyl)phenyl]-(9CI)(588674-64-0)1HNMR
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