2080306-22-3

2080306-22-3 structure

Name: NCT-501 hydrochloride
Chemical Name: NCT-501 hydrochloride
CAS Number: 2080306-22-3
Molecular Formula: C₂₁H₃₃ClN₆O₃
Molecular Weight: 452.98
Catalog: Signaling Pathways Metabolic Enzyme/Protease Aldehyde Dehydrogenase (ALDH)
Create Date: 2020-08-07 21:30:09
Modify Date: 2025-08-25 18:28:33
NCT-501 hydrochloride 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)[1][2].

Name	NCT-501 hydrochloride

Description	NCT-501 hydrochloride 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)[1][2].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Aldehyde Dehydrogenase (ALDH) Research Areas >> Cancer
Target	IC50: 40 nM (hALDH1A1)[2]
In Vitro	NCT-501 shows a 16% decrease in the Cal-27 CisR cell line at 20 nM concentration, though the difference was not statistically significant[1].
In Vivo	NCT-501 (100 µg/animal; i.t.; every alternate day for 20 days) shows a 78% inhibition in tumor growth in Cal-27 CisR derived xenografts[1].
References	[1]. Kulsum S et al. Cancer stem cell mediated acquired chemoresistance in head and neck cancer can be abrogated by Aldehydedehydrogenase 1 A1 inhibition. [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.

Molecular Formula	C₂₁H₃₃ClN₆O₃
Molecular Weight	452.98