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| | NCT-501 Basic information |
| Product Name: | NCT-501 | | Synonyms: | NCT-501;CS-2069;1H-Purine-2,6-dione, 8-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-;NCT-501 >=98% (HPLC);Inhibitor,Aldehyde Dehydrogenase (ALDH),inhibit,NCT-501,NCT 501;8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione | | CAS: | 1802088-50-1 | | MF: | C21H32N6O3 | | MW: | 416.52 | | EINECS: | | | Product Categories: | | | Mol File: | 1802088-50-1.mol |  |
| | NCT-501 Chemical Properties |
| Boiling point | 627.3±65.0 °C(Predicted) | | density | 1.37±0.1 g/cm3(Predicted) | | storage temp. | Store at -20°C | | solubility | ≥20.85 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥11 mg/mL in EtOH | | form | solid | | pka | 5.26±0.10(Predicted) |
| | NCT-501 Usage And Synthesis |
| Description | NCT-501 is a potent, reversible, theophylline-based inhibitor of ALDH1A1 (IC50 = 40 nM for the human form). 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. | | references | 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]. journal of medicinal chemistry, 2015, 58(15): 5967-5978. |
| | NCT-501 Preparation Products And Raw materials |
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