NCT 501 hydrochloride

Name: NCT 501 hydrochloride
Brand: Tocris Bioscience
SKU: 5934

Tocris Bioscience, part of Bio-Techne | Catalog # 5934

Citations (1)

COA / SDS

Potent and selective ALDH1A1 inhibitor

Key Product Details

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)
Molecular Weight:	452.98

View Full Technical Details for NCT 501 hydrochloride

Technical Data
Citations

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 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	1.10 mL	2.21 mL
50 mM	0.04 mL	0.22 mL	0.44 mL

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and CoA (available online).

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

References for NCT 501 hydrochloride

References are publications that support the biological activity of the product.

Yang Discovery of NCT-501, a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1). J.Med.Chem. 2015 PMID: 26207746