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NCT-501

SIGMA/SML2089 - ≥98% (HPLC)

Synonym: 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

CAS Number: 1802088-50-1
Empirical Formula (Hill Notation): C21H32N6O3
Molecular Weight: 416.52
MDL Number: MFCD29472261
Linear Formula: C21H32N6O3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML2089-5MG 5 mg
 $145.00
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assay ≥98% (HPLC)
color white to beige
form powder
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
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.
Biochem/physiol Actions: Potent and selective inhibitor of Aldehyde dehydrogenase ALDH1A1
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. −20°C
UNSPSC 12352200

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