| Company Name: |
BOC Sciences |
| Tel: |
1-631-485-4226; 16314854226 |
| Email: |
info@bocsci.com |
- NCT-501
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- $40.00
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2026-09-10
- CAS:1802088-50-1
- Purity: 99.79%
- Supply Ability: 10g
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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;8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione , NCT-501;NCT-501, 10 mM in DMSO | | 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) | | color | White to off-white | | InChIKey | FSXIBBYWVGWQJL-UHFFFAOYSA-N | | SMILES | CN1C(N(C)C2=C(N(CCC(C)C)C(CN3CCN(C(C4CC4)=O)CC3)=N2)C1=O)=O |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids |
| | 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. | | Uses | NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), inhibits hALDH1A1 with IC50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC50 >57 μM). | | in vivo | NCT-501 (100 μg/animal; i.t.; every alternate day for 20 days) shows a 78% inhibition in tumor growth in Cal-27 CisR derived xenografts[1]. | Animal Model: | 5-6 weeks old male Hsd: Athymic Nude-Foxn1nu (immuno-deficient-mice bearing Cal-27 CisR cells)[1] | | Dosage: | 100μg/animal | | Administration: | Intra-tumorally (i.t); every alternate day for 20 days | | Result: | Showed a 78% inhibition in tumor growth in Cal-27 CisR derived xenografts. |
| | IC 50 | ALDH1 | | 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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