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Merck
CN

SML0467

Sigma-Aldrich

ES936

≥98% (HPLC)

Synonym(s):

5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-Indole-4,7-dione

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About This Item

Empirical Formula (Hill Notation):
C18H16N2O6
CAS Number:
192820-78-3
Molecular Weight:
356.33
MDL number:
MFCD08690517
UNSPSC Code:
12352200
PubChem Substance ID:
329824745

Key Documents

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Assay

≥98% (HPLC)

form

powder

color

, orange to dark orange-red

solubility

DMSO: 2 mg/mL (clear solution, warmed)

storage temp.

2-8°C

SMILES string

COC1=CC(=O)c2c(C1=O)c(COc3ccc(cc3)[N+]([O-])=O)c(C)n2C

InChI

1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3

InChI key

IBLWSLZYYZHSRG-UHFFFAOYSA-N

Biochem/physiol Actions

ES936 is a very potent and selective inhibitor of NAD(P)H:quinone oxidoreductase 1 (NQO1). ES936 inhibits superoxide scavenging by NQO1 in tumor and cardiovascular cells. NQO1 is highly expressed in pancreatic cancers, and ES936 inhibits proliferation of pancreatic tumor lines Mia PaCa and BxPC-3 with nanomolar IC50 values.
ES936 is a very potent and selective inhibitor of NQO1.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
092M4611V

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Ayaka Mizumoto et al.
Journal of gastroenterology, 54(8), 687-698 (2019-02-10)
Esophageal squamous cell carcinoma (ESCC) is one of the most intractable cancers, so the development of novel therapeutics has been required to improve patient outcomes. Curcumin, a polyphenol from Curcuma longa, exhibits various health benefits including antitumor effects, but its
Sung-Je Moon et al.
Scientific reports, 10(1), 17735-17735 (2020-10-22)
Diabetic nephropathy (DN) is a major complication of diabetes mellitus. NAD(P)H:quinone oxidoreductase 1 (NQO1) is an antioxidant enzyme that has been involved in the progression of several kidney injuries. However, the roles of NQO1 in DN are still unclear. We
Yong-Hoon Kim et al.
American journal of hypertension, 28(1), 50-57 (2014-06-22)
Endothelial nitric oxide synthase (eNOS) is involved in blood pressure (BP) regulation through the production of nitric oxide. Sirtuin I (SIRT1), an NAD-dependent protein deacetylase, promotes vascular relaxation through deacetylation and activation of eNOS. β-Lapachone (βL) increases the cellular NAD(+)/NADH

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