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
| 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 |
