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Submit ReviewNCT 501 hydrochloride
Description: Potent and selective ALDH1A1 inhibitor
Chemical Name: 8-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-1H-purine-2,6-dione hydrochloride
Purity: ≥98% (HPLC)
Biological Activity for NCT 501 hydrochloride
NCT 501 hydrochloride is a 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.
Compound Libraries for NCT 501 hydrochloride
NCT 501 hydrochloride is also offered as part of the Tocriscreen 2.0 Max. Find out more about compound libraries available from Tocris.
Technical Data for NCT 501 hydrochloride
| M. Wt | 452.98 |
| Formula | C21H32N6O3.HCl |
| Storage | Store at -20°C |
| Purity | ≥98% (HPLC) |
| CAS Number | 2080306-22-3 |
| 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.
Tocris products are intended for laboratory research use only, unless stated otherwise.
Solubility Data for NCT 501 hydrochloride
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| water | 45.3 | 100 | |
| DMSO | 45.3 | 100 |
Preparing Stock Solutions for NCT 501 hydrochloride
The following data is based on the product molecular weight 452.98. Batch specific molecular weights may vary from batch to batch due to the degree 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 |
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Product Datasheets for NCT 501 hydrochloride
References for NCT 501 hydrochloride
References are publications that support the biological activity of the product.
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
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1 Citation for NCT 501 hydrochloride
Citations are publications that use Tocris products. Selected citations for NCT 501 hydrochloride include:
Rui et al (2020) Phenotypic landscape of intestinal organoid regeneration. Nature 586 275-280 PMID: 33029001
Do you know of a great paper that uses NCT 501 hydrochloride from Tocris? Please let us know.
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