PKUMDL WQ 2201

Modify Date: 2024-01-12 17:37:44

PKUMDL WQ 2201 Structure
PKUMDL WQ 2201 structure
Common Name PKUMDL WQ 2201
CAS Number 592474-91-4 Molecular Weight 351.808
Density 1.4±0.1 g/cm3 Boiling Point 523.5±60.0 °C at 760 mmHg
Molecular Formula C15H14ClN3O3S Melting Point N/A
MSDS N/A Flash Point 270.4±32.9 °C

 Use of PKUMDL WQ 2201


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].

 Names

Name PKUMDL-WQ-2201
Synonym More Synonyms

 PKUMDL WQ 2201 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
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

 Synonyms

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