592474-91-4

592474-91-4 structure

Name: PKUMDL WQ 2201
Chemical Name: PKUMDL-WQ-2201
CAS Number: 592474-91-4
Molecular Formula: C₁₅H₁₄ClN₃O₃S
Molecular Weight: 351.808
Catalog: Research Areas Cancer
Create Date: 2021-09-11 19:55:14
Modify Date: 2024-01-12 17:37:44
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].

Name	PKUMDL-WQ-2201
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

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.