NCT-501
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MedKoo CAT#: 407129

CAS#: 1802088-50-1

Description: NCT-501 is a potent ALDH1A1 inhibitor. Aldehyde dehydrogenases (ALDHs) metabolize reactive aldehydes and possess important physiological and toxicological functions in areas such as CNS, metabolic disorders, and cancers. Increased ALDH (e.g., ALDH1A1) gene expression and catalytic activity are vital biomarkers in a number of malignancies and cancer stem cells, highlighting the need for the identification and development of small molecule ALDH inhibitors.


Price and Availability

Size Price Shipping out time Quantity
100mg USD 850 2 Weeks
200mg USD 1350 2 Weeks
500mg USD 2250 2 Weeks
1g USD 3450 2 Weeks
2g USD 4250 2 Weeks
5g USD 6550 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2020-10-26. Prices are subject to change without notice.

NCT-501, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407129
Name: NCT-501
CAS#: 1802088-50-1
Chemical Formula: C21H32N6O3
Exact Mass: 416.25359
Molecular Weight: 416.53
Elemental Analysis: C, 60.56; H, 7.74; N, 20.18; O, 11.52


Synonym: NCT-501; NCT501; NCT 501.

IUPAC/Chemical Name: 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

InChi Key: FSXIBBYWVGWQJL-UHFFFAOYSA-N

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

SMILES Code: O=C(C(N(CCC(C)C)C(CN1CCN(C(C2CC2)=O)CC1)=N3)=C3N4C)N(C)C4=O


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001


References

1: Yang SM, Yasgar A, Miller B, Lal-Nag M, Brimacombe K, Hu X, Sun H, Wang A, Xu X, Nguyen K, Oppermann U, Ferrer M, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ. Discovery of NCT-501, a Potent and Selective Theophylline-Based Inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1). J Med Chem. 2015 Jul 24. [Epub ahead of print] PubMed PMID: 26207746.