NCT-506

• CAT Number: I033115
• CAS Number: 2231098-99-8
• Molecular Formula: C25H23FN4O3S
• Molecular Weight: 478.54
• Purity: ≥95%
• Synonyms: 1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
• InChI: InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
• InChIKey: WIXZFNIBMHEUJH-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)F

NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with an IC50 of 7 nM[1].
NCT-506 inhibits ALDH1A1, hALDH1A3, hALDH2 with IC50s of 0.007±0.001, 16.4±3.99, and 21.5 μM, respectively[1].
NCT-506 (100, 10, 1, 0.1 μM, 6 days) decreases significantly cell viability with an EC50 of 45.6 μM in OV-90 cells. NCT-506 inhibits MIA PaCa-2, OV-90, and HT-29 cells with IC50s of 0.077±0.040, 0.161±0.038, and 0.048±0.022 μM in aldefluor cell-based assays, respectively[1].
NCT-506 is treated in combined with Paclitaxel, IC50s of 1202, 924, 870, 411, 102, and 31.8 nM with concentrations of NCT-506 at 0 (DMSO), 1, 3, 10, 20, 30 μM in SKOV-3-TR cells, respectively[1].

Reference

[1]. Yang SM, et al. Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. J Med Chem. 2018 Jun 14;61(11):4883-4903.
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