NCT-502

NCT-502 is an inhibitor of 3-phosphoglycerate dehydrogenase (PHGDH), inhibiting serine synthesis from 3-phosphoglycerate in cells with an IC50 value of 3.7 µM. It is inactive against a panel of other dehydrogenases and shows minimal cross reactivity with G protein-coupled receptors. NCT-502 reversibly blocks the production of glucose-derived serine in cells and displays reasonable in vitro absorption, distribution, metabolism, and excretion.Formal Name: N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide. CAS Number: 1542213-00-2. Molecular Formula: C18H20F3N5S. Formula Weight: 395.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/mL, DMSO: 10 mg/mL, Ethanol: 1 mg/mL, Ethanol:PBS (pH 7.2) (1:10): 0.33 mg/mL. lambdamax: 259, 284 nm. SMILES: S=C(N1CCN(C2=NC=C(C(F)(F)F)C=C2)CC1)NC3=NC(C)=CC(C)=C3. InChi Code: 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). InChi Key: HHKPPMSUPATMKP-UHFFFAOYSA-N.