PKUMDL WQ 2201

Names

[ Name ]:
PKUMDL WQ 2201

[Synonym ]:
2-Chloro-4-(5-{[(ethylcarbamothioyl)hydrazono]methyl}-2-furyl)benzoic acid
Benzoic acid, 2-chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]-
PKUMDL-WQ-2201
2-chloro-4-(5-{2-[(ethylamino)carbothioyl]carbohydrazonoyl}-2-furyl)benzoic acid
2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]-benzoic acid

Biological Activity

[Description]:

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].

[Related Catalog]:

Research Areas >> Cancer

[Target]

IC50: 35.7 μM (PHGDH WT), 69 μM (PHGDH T59A), >300 μM (PHGDH T56AK57A)[1]

[In Vitro]

PKUMDL-WQ-2201 (10 nM-100 μM; 3 d) 对 PHGDH 扩增的乳腺癌细胞系具有良好的选择性和抑制作用，EC50 值分别为 7.7 μM (MDA-MB-468) 和 10.8 μM (HCC70)[1]。

[In Vivo]

PKUMDL-WQ-2201 (5-20 mg/kg; 腹腔注射; 每天 1 次, 共 30 天) 与对照组小鼠相比，对 MDA-MB-468 异种移植有显著的抑制作用，但不影响肿瘤生长[1]。

[References]

[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.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
523.5±60.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₅H₁₄ClN₃O₃S

[ Molecular Weight ]:
351.808

[ Flash Point ]:
270.4±32.9 °C

[ Exact Mass ]:
351.044434

[ LogP ]:
2.79

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.647

Related Compounds

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