NCT 501 hydrochloride

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Cat.No. 5934 - NCT 501 hydrochloride | C21H32N6O3.HCl
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)
Literature (1)

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.

Compound Libraries

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

M. Wt 452.98
Formula C21H32N6O3.HCl
Storage Store at -20°C
Purity ≥98% (HPLC)
PubChem ID 124201852
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

Solvent Max Conc. mg/mL Max Conc. mM
water 45.3 100
DMSO 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 the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
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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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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