Biological Activity
Potent and selective ALDH1A1 inhibitor (IC50 = 40 nM). Exhibits >1000-fold selectivity for ALDH1A1 over ALDH3A1, ALDH1B1, ALDH2, HPGD and HSD17β4. Also selective over a panel of 168 GPCRs. Blood-brain barrier permeable.
Technical Data
| M. Wt | 452.98 |
| Formula | C21H32N6O3.HCl |
| Storage | Store at -20°C |
| Purity | ≥98% (HPLC) |
| PubChem ID | 124201852 |
| InChI Key | MQNBJYUQFQUJQZ-UHFFFAOYSA-N |
| Smiles | CC(CCN1C(CN2CCN(C(C3CC3)=O)CC2)=NC4=C1C(N(C(N4C)=O)C)=O)C.Cl |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
All Tocris products are intended for laboratory research use only.
Solubility Data
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 45.3 | 100 | |
| water | 45.3 | 100 |
Preparing Stock Solutions
The following data is based on the product molecular weight 452.98. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 2.21 mL | 11.04 mL | 22.08 mL |
| 5 mM | 0.44 mL | 2.21 mL | 4.42 mL |
| 10 mM | 0.22 mL | 1.1 mL | 2.21 mL |
| 50 mM | 0.04 mL | 0.22 mL | 0.44 mL |
Molarity Calculator
Reconstitution Calculator
Dilution Calculator
Product Datasheets
References
References are publications that support the products' biological activity.
Yang et al (2015) Discovery of NCT-501, a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1). J.Med.Chem. 58 5967 PMID: 26207746
Keywords: NCT 501 hydrochloride, supplier, NCT501, hydrochloride, potent, selective, ALDH1A1, inhibitors, inhibits, cancer, stem, cells, obesity, inflammation, antitumor, 1802088-50-1, Aldehyde, Dehydrogenase, Aldehyde, Dehydrogenase, Tocris Bioscience
