IDO/TDO-IN-1

• CAT Number: I018657
• CAS Number: 2033173-01-0
• Molecular Formula: C25H24FN5
• Molecular Weight: 413.49
• Purity: ≥95%
• Synonyms: (5S)-6-fluoro-5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
• InChI: InChI=1S/C25H24FN5/c1-29-15-19(13-28-29)17-5-7-20(8-6-17)30-11-9-18(10-12-30)25-24-21(3-2-4-22(24)26)23-14-27-16-31(23)25/h2-8,13-16,18,25H,9-12H2,1H3/t25-/m0/s1
• InChIKey: UJGQDAMZVUNFBQ-VWLOTQADSA-N
• SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)N3CCC(CC3)C4C5=C(C=CC=C5F)C6=CN=CN46

IDO/TDO-IN-1 (compound 25) is a highly potent and orally active dual indoleamine-2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO) inhibitor with IC50s of 9.7 and 47 nM, respectively [1].
IDO/TDO-IN-1 inhibits IDO in the Hela cell line with an IC50 of 76 nM[1].

Reference

[1]. Tu W, et al. Discovery of Imidazoisoindole Derivatives as Highly Potent and Orally Active Indoleamine-2,3-dioxygenase Inhibitors. ACS Med Chem Lett. 2019 Jun 3;10(6):949-953.
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