ZC0109

• CAT Number: I042379
• Molecular Formula: C22H20BrFN8O4S
• Molecular Weight: 591.41
• Purity: ≥95%
• Synonyms: N-[5-[3-[[4-[N’-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]propyl]-1,3,4-thiadiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
• InChI: InChI=1S/C22H20BrFN8O4S/c23-15-11-13(5-8-16(15)24)26-21(30-35)19-20(32-36-31-19)25-9-1-2-18-28-29-22(37-18)27-17(34)10-12-3-6-14(33)7-4-12/h3-8,11,33,35H,1-2,9-10H2,(H,25,32)(H,26,30)(H,27,29,34)
• InChIKey: UEYJCFRMVBBVMR-UHFFFAOYSA-N
• SMILES: C1=CC(=CC=C1CC(=O)NC2=NN=C(S2)CCCNC3=NON=C3C(=NC4=CC(=C(C=C4)F)Br)NO)O

ZC0109 is a dual inhibitor of IDO1 and thioredoxin reductase 1 (TrxR1) with IC50s of 50 nM and 3.0 μM, respectively. ZC0109 induces ROS accumulation and cell cycle arrest at G1/S phase, thus leads to cancer cells apoptosis[1].
ZC0109 (24 h) inhibits cancer cells with IC50s of 3.44 μM (HCT-116), 12.4 μM (CT26), and 10.2 μM (HeLa), respectively[1].
ZC0109 (2.5-10 μM; 24 h) induces ROS accumulation in HCT-116 and HeLa cells[1].
ZC0109 (2.5-10 μM; 24 h) induces apoptosis and G1/S cell cycle arrest in cancer cell[1].
ZC0109 (15, 30, and 60 mg/kg; p.o.; once daily for 28 d) reduces Kyn/Trp metabolism in C57BL/6 mice[1].
ZC0109 (60 mg/kg; p.o.; once daily for 28 d) decreases tumor growth and increases accumulation and infiltration of T cells in CT-26 cells transplanted immunocompetent BALB/c mice[1].

Reference

[1]. Zhou J, et al. Discovery of novel hydroxyamidine based indoleamine 2,3-dioxygenase 1 (IDO1) and thioredoxin reductase 1 (TrxR1) dual inhibitors. Eur J Med Chem. 2023 Jan 5;245(Pt 1):114860.
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