A reversible inhibitor of ALDH1A1
Related Products
Alternative(s)
18319NCT-501 (hydrochloride)
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Product Categories

Product Type

Small Molecule Modulators
Small Molecule Inhibitors

Research Area

NCT-501

Item No. 21162

Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
8-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-1H-purine-2,6-dione
CAS Number
1802088-50-1
Molecular Formula
C21H32N6O3
Formula Weight
416.5
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 1 mg/mlDMSO: 1 mg/mlDMSO:PBS (pH 7.2)(1:5): 0.17 mg/ml
λmax
278 nm
SMILES
CN1C(N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O)=O
InChi Code
InChI=1S/C21H32N6O3/c1-14(2)7-8-27-16(22-18-17(27)20(29)24(4)21(30)23(18)3)13-25-9-11-26(12-10-25)19(28)15-5-6-15/h14-15H,5-13H2,1-4H3
InChi Key
FSXIBBYWVGWQJL-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

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    10 mg

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    25 mg

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    Product Description

    NCT-501 is a potent, reversible, theophylline-based inhibitor of ALDH1A1 (IC50 = 40 nM for the human form).1 It is selective for ALDH1A1 over other ALDH isozymes as well as other dehydrogenases. Pharmacokinetic studies indicate that NCT-501 has high bioavailability when delivered intraperitoneally, with rapid phase I modification in the liver.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Yang, S.M., Yasgar, A., Miller, B., et al. Discovery of NCT-501, a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1). J. Med. Chem. 58(15), 5967-5978 (2015).