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Safety Information

SML1965

Sigma-Aldrich

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:
592474-91-4
Molecular Weight:
351.81
UNSPSC Code:
12352200
NACRES:
NA.77

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

SML1965-VAR:
SML1965-25MG:
SML1965-5MG:
SML1965-BULK:

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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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