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Merck

SML2089

NCT-501

≥98% (HPLC)

Synonym(s):

NCT-501, 8-((4-(Cyclopropanecarbonyl)piperazin-1-yl)-methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-1H-purine-2,6-dione

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About This Item

Empirical Formula (Hill Notation):
C21H32N6O3
CAS Number:
1802088-50-1
Molecular Weight:
416.52
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD29472261

Key Documents

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Product Name

NCT-501, ≥98% (HPLC)

InChI key

FSXIBBYWVGWQJL-UHFFFAOYSA-N

SMILES string

CN1C(N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O)=O

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Biochem/physiol Actions

NCT-501 is a potent and selective inhibitor of Aldehyde dehydrogenase ALDH1A1, a dehydrogenase that has been found to be elevated in certain cancers and in cancer stem cells. NCT-501 had an IC50 value of 40 nM and was found to be 1000-fold selective for ALDH1A1 over other ALDH enzymes and other dehydrogenases. NCT-501 treatment of head and neck squamous-cell carcinoma (HNSCC) explants in combination with cisplatin resulted in a significant decrease in proliferating cells.
Potent and selective inhibitor of Aldehyde dehydrogenase ALDH1A1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Shyh-Ming Yang et al.
Journal of medicinal chemistry, 58(15), 5967-5978 (2015-07-25)
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
Rosemary E McDowell et al.
Investigative ophthalmology & visual science, 57(11), 4762-4771 (2016-09-13)
We studied whether the accumulation of advanced lipoxidation end-products (ALEs) in the diabetic retina is linked to the impairment of lipid aldehyde detoxification mechanisms. Retinas were collected from nondiabetic and diabetic rats and processed for conventional and quantitative RT-PCR (qRT-PCR)
Safeena Kulsum et al.
Molecular carcinogenesis, 56(2), 694-711 (2016-07-07)
Chemoresistance leading to disease relapse is one of the major challenges to improve outcome in head and neck cancers. Cancer Stem Cells (CSCs) are increasingly being implicated in chemotherapy resistance, this study investigates the correlation between CSC behavior and acquired

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