[CAS NO. 1802088-50-1] NCT-501
PRODUCTS SPECIFICATIONS [1802088-50-1]
DESCRIPTION [1802088-50-1]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 416.52 |
| Molecular Formula | C21H32N6O3 |
| SMILES | O=C(N1C)N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O |
3 Publications Citing Use of MCE
Summary
NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1) , inhibits hALDH1A1 with IC 50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC 50 >57 μM).
IC50 & 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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Animal Model: | 5-6 weeks old male Hsd: Athymic Nude-Foxn1nu (immuno-deficient-mice bearing Cal-27 CisR cells) [1] |
| Dosage: | 100µg/animal |
| Administration: | Intra-tumorally (i.t); every alternate day for 20 days |
| Result: | Showed a 78% inhibition in tumor growth in Cal-27 CisR derived xenografts. |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 12.5 mg/mL ( 30.01 mM ; ultrasonic and warming and heat to 60°C)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.4008 mL | 12.0042 mL | 24.0085 mL |
| 5 mM | 0.4802 mL | 2.4008 mL | 4.8017 mL |
| 10 mM | 0.2401 mL | 1.2004 mL | 2.4008 mL |
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. 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.
