PKUMDL-WQ-2101

• CAT Number: I034864
• CAS Number: 304481-72-9
• Molecular Formula: C14H11N3O6
• Molecular Weight: 317.25
• Purity: ≥95%
• Synonyms: 2,4-dihydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
• InChI: InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)/b15-7+
• InChIKey: OXONIXZPWKJHMW-VIZOYTHASA-N
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=NNC(=O)C2=C(C=C(C=C2)O)O)O

PKUMDL-WQ-2101 is a non-NAD+-competing allosteric phosphoglycerate dehydrogenase (PHGDH) inhibitor with an IC50 of 34.8 μM. PKUMDL-WQ-2101 exhibits antitumor activity[1].
PKUMDL-WQ-2101 (72 hours) shows dose-dependent suppression effects on the cell viability at micromolar concentrations, with good selectivity for PHGDH amplified breast cancer cell lines. The antitumor activities of PKUMDL-WQ-2101 in the two PHGDH amplified breast cancer cell lines (MDA-MB-468 and HCC70) are 7.70 μM and 10.8 μM, respectively[1].
PKUMDL-WQ-2101 (2.5-40 μM; 24 hours) causes cell cycle arrest in MDA-MB-468 cells[1].
PKUMDL-WQ-2101 (37 μM; 24 hours) decreases de novo serine synthesis and metabolism downstream of the serine synthesis pathway, with effects comparable to PHGDH genetic deletion[1].
PKUMDL-WQ-2101 (5-20 mg/kg; i.p; daily; for 30 days) exhibits substantial inhibitory effects on MDA-MB-468 xenografts[1].

Reference

[1]. Qian Wang, 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.
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