SML1965
PKUMDL-WQ-2201
≥98% (HPLC)
Synonym(s):
2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]-benzoic acid
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About This Item
Empirical Formula (Hill Notation):
C15H14ClN3O3S
CAS Number:
Molecular Weight:
351.81
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to brown
solubility
DMSO: 15 mg/mL, clear
storage temp.
2-8°C
SMILES string
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 key
XPACBFAEZIPDRT-UHFFFAOYSA-N
Biochem/physiol Actions
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)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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