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Merck
CN

Z4527

Zopolrestat

≥98% (HPLC)

Synonym(s):

3,4-Dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-1-phthalazineacetic acid, Alond, CP-73850, Xedia

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About This Item

Empirical Formula (Hill Notation):
C19H12F3N3O3S
CAS Number:
Molecular Weight:
419.38
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
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InChI

1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)

SMILES string

OC(=O)CC1=NN(Cc2nc3cc(ccc3s2)C(F)(F)F)C(=O)c4ccccc14

InChI key

BCSVCWVQNOXFGL-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

off-white to light brown

solubility

DMSO: ≥20 mg/mL

storage temp.

2-8°C

Quality Level

Biochem/physiol Actions

Zopolrestat is an inhibitor of Aldose Reductase.
Zopolrestat is an inhibitor of Aldose Reductase. AR family members AKR1B1 and AKR1B10 have additionally been shown to play roles in inflammation and cancer.

Features and Benefits

This compound is featured on the Dopamine and Norepinephrine Metabolism page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

pictograms

Skull and crossbones

signalword

Danger

hcodes

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 4

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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Liping Zou et al.
International journal of molecular medicine, 30(2), 409-416 (2012-05-23)
Aldose reductase (AR), the first and the rate-limiting enzyme of the polyol pathway, has been implicated in platelet-derived growth factor (PDGF)-induced proliferation of rat mesangial cells (MsCs). It is well known that AR plays an important role in various chronic
Cornelia Koch et al.
Biochimica et biophysica acta, 1810(9), 879-887 (2011-06-21)
Flexibility is a common feature of proteins. For human aldose reductase, a variety of conformers have been observed in crystalline complexes with different inhibitors. A study of crystal structures and isothermal titration calorimetry was performed on wild type and mutated
Depeng Jiang et al.
International immunopharmacology, 12(4), 588-593 (2012-03-06)
This study investigated whether aldose reductase (AR) inhibition affects interleukin (IL)-13-induced mucus production in the human bronchial epithelial cell line-16 (HBE16) cells. The HBE16 cells were cultured with AR inhibitors (zopolrestat) or were transfected with an AR small interfering (si)RNA.
Holger Steuber et al.
Journal of molecular biology, 363(1), 174-187 (2006-09-06)
In structure-based drug design, accurate crystal structure determination of protein-ligand complexes is of utmost importance in order to elucidate the binding characteristics of a putative lead to a given target. It is the starting point for further design hypotheses to
Umesh C S Yadav et al.
Investigative ophthalmology & visual science, 48(10), 4634-4642 (2007-09-28)
The purpose of the present study was to elucidate the role of the polyol pathway enzyme aldose reductase (AR) in the mediation of ocular inflammation in a rat model of endotoxin-induced uveitis (EIU). EIU was induced by a subcutaneous injection

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