PHGDH-IN-3

• CAT Number: I041992
• CAS Number: 2893778-31-7
• Molecular Formula: C24H18FN3O4S2
• Molecular Weight: 495.55
• Purity: ≥95%
• Synonyms: 4-[(3-acetylphenyl)sulfamoyl]-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
• InChI: InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)
• InChIKey: VUAMLKVINZWIJR-UHFFFAOYSA-N
• SMILES: CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F

PHGDH-IN-3 is an orally active phosphoglycerate dehydrogenase (PHGDH) inhibitor. PHGDH-IN-3 inhibits PHGDH with an IC50 value of 2.8 μM. PHGDH-IN-3 can be used for the research of cancer[1].
PHGDH-IN-3 (compound D8) has good enzymatic inhibitory activity with an IC50 value of 2.8 μM[1].
PHGDH-IN-3 has high binding affinity for the PHGDH protein with a Kd value of 2.33 μM[1].
PHGDH-IN-3 has sensitivity to the cell lines with the PHGDH gene amplification or overexpression[1].
PHGDH-IN-3 can restrict the de novo serine synthesis from glucose within MDA-MB-468 cells[1].
PHGDH-IN-3 (compound D8) (p.o., i.v.; 1, 3 mg/kg) exhibits excellent in vivo pharmacokinetic properties[1].
PHGDH-IN-3 (i.p.; 12.5, 25, 50 mg/kg; once daily for consecutive 31 days) exertes evident antitumor efficacy in the PC9 xenograft mouse model[1].

Reference

[1]. Dingding Gao, et al. Discovery of Novel Drug-like PHGDH Inhibitors to Disrupt Serine Biosynthesis for Cancer Therapy. J Med Chem. 2023 Jan 12;66(1):285-305.
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