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经验公式(希尔记法):
C19H12F3N3O3S
化学文摘社编号:
分子量:
419.38
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
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
相关类别
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 4
存储类别
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
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
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
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.
Brian F Johnson et al.
Diabetes care, 27(2), 448-454 (2004-01-30)
The goal of this study was to determine whether treatment with an aldose reductase inhibitor (ARI) has beneficial effects on asymptomatic cardiac abnormalities in diabetic patients with neuropathy. Diabetic subjects with neuropathy (n = 81) with either a low diastolic
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