A reversible inhibitor of ALDH1A1
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Alternative(s)
21162NCT-501
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Product Categories

Product Type

Biochemicals
Small Molecule Modulators
Small Molecule Inhibitors

Research Area

NCT-501 (hydrochloride)

Item No. 18319

Product Insert (PDF)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, monohydrochloride
CAS Number
2080306-22-3
Molecular Formula
C21H32N6O3 • HCl
Formula Weight
453.0
Purity
≥98%
Formulation (Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 20 mg/mlPBS (pH 7.2): 10 mg/ml
λmax
277 nm
SMILES
CN1C(N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O)=O.Cl
InChi Code
InChI=1S/C21H32N6O3.ClH/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;1H
InChi Key
MQNBJYUQFQUJQZ-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    1 mg

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    5 mg

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    10 mg

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    25 mg

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    Product Description

    Aldehyde dehydrogenases (ALDHs) catalyze the NAD(P)+-dependent oxidation of aldehyde-containing substrates to the corresponding carboxylic acids.1 ALDH1A1 activity is elevated in certain stem cells and cancers.1 NCT-501 is a potent, reversible, theophylline-based inhibitor of ALDH1A1 (IC50 = 40 nM for the human form).2 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.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Tomita, H., Tanaka, K., Tanaka, T., et al. Aldehyde dehydrogenase 1A1 in stem cells and cancer. Oncotarget 7(10), 11018-11032 (2016).

    2. 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).