A reversible inhibitor of ALDH1A1
Related Products
Alternative(s)
21162NCT-501
Technical Support & Resources

Visit our FAQ

Contact Us

Toll Free Phone (USA and Canada Only): (888) 526-5351
Direct Phone: (734) 975-3888

Request Technical Support

Technical Support Request

To streamline the process attach the appropriate questionnaire to your inquiry.

Download IHC QuestionnaireDownload WB Questionnaire

View Our Privacy Statement for details on how we use and protect your data. In addition, this site is protected by hCaptcha and its Privacy Policy and Terms of Service apply.

Product Categories

Product Type

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
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
Recommended Products

Certificates of Analysis & Batch Specific Data

Provide batch numbers separated by commas to download or request available product inserts, QC sheets, certificates of analysis, data packs, and GC-MS data.

Download most recent Certificate of Analysis for this product

    1 mg

    $63

    Add

    5 mg

    $257

    Add

    10 mg

    $454

    Add

    25 mg

    $976

    Add
    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).