NCT-501 hydrochloride

• CAT Number: I015337
• CAS Number: 2080306-22-3
• Molecular Formula: C₂₁H₃₃ClN₆O₃
• Molecular Weight: 452.98
• Purity: ≥95%
• Target: Aldehyde Dehydrogenase (ALDH)
• IUPAC Name: 8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione;hydrochloride
• InChI: 1S/C21H32N6O3.ClH/c1-14(2)7-8-27-16(22-18-17(27)20(29)24(4)21(30)23(18)3)13-25-9-11-26(12-10-25)19(28)15-5-6-15;/h14-15H,5-13H2,1-4H3;1H
• InChIKey: MQNBJYUQFQUJQZ-UHFFFAOYSA-N
• SMILES: CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4CC4.Cl

NCT-501 hydrochloride (Cat No.: I015337) is a selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), an enzyme involved in retinoic acid metabolism and cancer stem cell survival. By inhibiting ALDH1A1, NCT-501 disrupts cancer cell differentiation and proliferation, making it a promising compound in cancer research, particularly for targeting drug-resistant tumors. It has been studied for its potential in leukemia, ovarian cancer, and other malignancies where ALDH1A1 is overexpressed. NCT-501 hydrochloride is a valuable tool for studying cancer metabolism and stem cell biology.

Reference

[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.