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H3661

Sigma-Aldrich

4′-Hydroxydiclofenac

≥98% (HPLC)

Sinónimos:

4′-Hydroxy Diclofenac

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About This Item

Fórmula empírica (notación de Hill):
C14H11Cl2NO3
Número de CAS:
64118-84-9
Peso molecular:
312.15
Beilstein/REAXYS Number:
4198042
MDL number:
MFCD01671980
UNSPSC Code:
12161501
PubChem Substance ID:
24895589
NACRES:
NA.47

Quality Level

200

assay

≥98% (HPLC)

packaging

vial of 5 mg

storage temp.

−20°C

SMILES string

OC(=O)Cc1ccccc1Nc2c(Cl)cc(O)cc2Cl

InChI

1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)

InChI key

KGVXVPRLBMWZLG-UHFFFAOYSA-N

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General description

4′-Hydroxydiclofenac is an important metabolite of aceclofenac, seen mainly in rats. It is the important oxidative metabolite found in urine.
CYP2C9 metabolite of diclofenac.

Application

4′-Hydroxydiclofenac has been used to investigate the effect of gentiopicroside (GE) on human cytochrome P450 enzymes in vitro. It has also been used as an enzyme marker to study its metabolic activities in different in vitro liver models.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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In vitro inhibition and induction of human liver cytochrome P450 enzymes by gentiopicroside: potent effect on CYP2A6
Deng Y, et al.
Drug Metabolism and Pharmacokinetics (2013)
Metabolism of Drugs and Other Xenobiotics (2012)
Metabolic profiling of human long-term liver models and hepatic clearance predictions from in vitro data using nonlinear mixed-effects modeling
Kratochwil NA, et al.
The AAPS Journal, 19(2), 534-550 (2017)
Nayara Cristina Perez de Albuquerque et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 146, 111826-111826 (2020-11-01)
Fenamiphos (FS) is a chiral organophosphate pesticide that is used to control nematodes in several crops. Enantioselective differences may be observed in FS activity, bioaccumulation, metabolism, and toxicity. Humans may be exposed to FS through occupational and chronic (food, water
Franciele S Fonseca et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 128, 202-211 (2019-04-17)
Myclobutanil is a chiral triazole fungicide that is employed worldwide. Although enantiomers have the same physical-chemical properties, they may differ in terms of activity, metabolism, and toxicity. This investigation consisted of in vitro enantioselective metabolism studies that employed a human
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