AHR antagonist 5

• CAT Number: I015472
• CAS Number: 2247953-39-3
• Molecular Formula: C25H27Cl3FN7
• Molecular Weight: 550.89
• Purity: ≥95%
• Synonyms: (3R)-N-[2-(5-fluoropyridin-3-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;trihydrochloride
• InChI: InChI=1S/C25H24FN7.3ClH/c1-14(2)20-13-28-33-24(20)31-23(15-9-16(26)12-27-11-15)32-25(33)29-17-7-8-22-19(10-17)18-5-3-4-6-21(18)30-22;;;/h3-6,9,11-14,17,30H,7-8,10H2,1-2H3,(H,29,31,32);3*1H/t17-;;;/m1.../s1
• InChIKey: SRGGKFXUJGRKIJ-NMRXSTGRSA-N
• SMILES: CC(C)C1=C2N=C(N=C(N2N=C1)NC3CCC4=C(C3)C5=CC=CC=C5N4)C6=CC(=CN=C6)F.Cl.Cl.Cl

AHR antagonist 5, a potent and orally active aryl hydrocarbon receptor (AHR) antagonist extracted from patent WO2018195397, example 39, has an IC50 of < 0.5 µΜ. AHR antagonist 5 significantly inhibits tumor growth combined with checkpoint inhibitor anti-PD-1[1].
Tumor growth inhibition is statistically significant with AHR antagonist 5 as single. AHR antagonist 5 (10 mg/kg; p.o.; every day for 3 weeks) combination with anti-PD-1 significantly inhibited tumor growth inhibition compared to the anti-PD-1 alone[1].

Reference

[1]. Alfredo C. Castro, et al. Indole ahr inhibitors and uses thereof. WO2018195397A2.