For research use only. Not for therapeutic Use.
NCT-502 is a human phosphoglycerate dehydrogenase (PHGDH) inhibitor, cytotoxic to PHGDH-dependent cancer cells, and reduces glucose-derived serine production, with an IC50 of 3.7 μM against PHGDH[1].
NCT-502 is cytotoxic to MDA-MB-468, with an EC50 of 15.2 μM[1].
| Catalog Number | I011573 |
| CAS Number | 1542213-00-2 |
| Synonyms | N-(4,6-dimethylpyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide |
| Molecular Formula | C18H20F3N5S |
| Purity | ≥95% |
| InChI | InChI=1S/C18H20F3N5S/c1-12-9-13(2)23-15(10-12)24-17(27)26-7-5-25(6-8-26)16-4-3-14(11-22-16)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,27) |
| InChIKey | HHKPPMSUPATMKP-UHFFFAOYSA-N |
| SMILES | CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C |
| Reference | [1]. Rohde JM, et al. Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors. Bioorg Med Chem. 2018 May 1;26(8):1727-1739. |
