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2231098-99-8

2231098-99-8 Structure

2231098-99-8 Structure
IdentificationBack Directory
[Name]

NCT-506
[CAS]

2231098-99-8
[Synonyms]

NCT-506
[Molecular Formula]

C25H23FN4O3S
[MDL Number]

MFCD31813661
[MOL File]

2231098-99-8.mol
[Molecular Weight]

478.54
Chemical PropertiesBack Directory
[Boiling point ]

719.9±70.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 33.33 mg/mL (69.65 mM; Need ultrasonic)
[form ]

Solid
[pka]

3.74±0.27(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Biological Activity]

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].
[References]

[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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