For research use only. Not for therapeutic Use.
PKUMDL-WQ-2201 is a PHGDH non-NAD+-competing allosteric inhibitor (IC50=35.7 μM). PKUMDL-WQ-2201 also inhibits PHGDH mutants with IC50s of 69 μM (T59A) and >300 μM (T56AK57A), respectively. PKUMDL-WQ-2201 inhibits de novo serine synthesis in cancer cells, and reduces tumor growth[1][2].
PKUMDL-WQ-2201 (10 nM-100 μM; 3 d) shows good selectivity for PHGDH-amplified breast cancer cell lines, inhibits cell viability with EC50s of 7.7 μM (MDA-MB-468) and 10.8 μM (HCC70), respectively[1].
PKUMDL-WQ-2201 (5-20 mg/kg; i.p.; once daily for 30 d) exhibits substantial inhibitory effects on MDA-MB-468 xenografts compared with vehicle-treated mice, without affecting the tumor growth[1].
| Catalog Number | I034865 |
| CAS Number | 592474-91-4 |
| Synonyms | 2-chloro-4-[5-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| Molecular Formula | C15H14ClN3O3S |
| Purity | ≥95% |
| InChI | InChI=1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8+ |
| InChIKey | XPACBFAEZIPDRT-QGMBQPNBSA-N |
| SMILES | CCNC(=S)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)C(=O)O)Cl |
| Reference | [1]. Wang Q, et al. Rational Design of Selective Allosteric Inhibitors of PHGDH and Serine Synthesis with Anti-tumor Activity. Cell Chem Biol. 2017 Jan 19;24(1):55-65. [2]. Zhao JY, et al. A retrospective overview of PHGDH and its inhibitors for regulating cancer metabolism. Eur J Med Chem. 2021 May 5;217:113379. |
