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Merck
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重要文件

SML1965

Sigma-Aldrich

PKUMDL-WQ-2201

≥98% (HPLC)

同義詞:

2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]-benzoic acid

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About This Item

經驗公式(希爾表示法):
C15H14ClN3O3S
CAS號碼:
分子量::
351.81
分類程式碼代碼:
12352200
NACRES:
NA.77
暫時無法取得訂價和供貨情況

化驗

≥98% (HPLC)

形狀

powder

顏色

white to brown

溶解度

DMSO: 15 mg/mL, clear

儲存溫度

2-8°C

SMILES 字串

O=C(C(C=CC(C1=CC=C(C=NNC(NCC)=S)O1)=C2)=C2Cl)O

InChI

1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)

InChI 密鑰

XPACBFAEZIPDRT-UHFFFAOYSA-N

生化/生理作用

PKUMDL-WQ-2201 is a potent and selective non-NAD+-competing allosteric inhibitor of phosphoglycerate dehydrogenase (PHGDH) that selectively inhibits serine synthesis in cancer cells. PKUMDL-WQ-2201 binds to allosteric site II, which is located in the substrate-binding domain. PKUMDL-WQ-2201 inhibits tumor growth of MDA-MB-468 xenografts in mice.
Potent and selective non-NAD+-competing allosteric inhibitor of phosphoglycerate dehydrogenase (PHGDH)

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable


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分析證明 (COA)

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Qian Wang et al.
Cell chemical biology, 24(1), 55-65 (2017-01-04)
Metabolic reprogramming in cancer cells facilitates growth and proliferation. Increased activity of the serine biosynthetic pathway through the enzyme phosphoglycerate dehydrogenase (PHGDH) contributes to tumorigenesis. With a small substrate and a weak binding cofactor, (NAD+), inhibitor development for PHGDH remains

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