NCT-501

NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), inhibits hALDH1A1 with IC50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC50 >57 μM) .

Product Specifications

CAS Number

[1802088-50-1]

UNSPSC

12352005

Target

Aldehyde Dehydrogenase (ALDH)

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/NCT-501.html

Purity

99.59

Solubility

DMSO : 3.57 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(N1C)N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O

Molecular Formula

C21H32N6O3

Molecular Weight

416.52

References & Citations

[1]Kulsum S et al. Cancer stem cell mediated acquired chemoresistance in head and neck cancer can be abrogated by Aldehydedehydrogenase 1 A1 inhibition. Mol Carcinog. 2016 Jul 6.|[2]Yang SM, et al. Discovery of NCT-501, a Potent and Selective Theophylline-Based Inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1) . J Med Chem. 2015 Aug 13;58 (15) :5967-5978.