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Merck
CN

H3661

4′-Hydroxydiclofenac

≥98% (HPLC)

Synonym(s):

4′-Hydroxy Diclofenac, [2-(2,6-Dichloro-4-hydroxy-phenylamino)phenyl]acetic acid

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About This Item

Empirical Formula (Hill Notation):
C14H11Cl2NO3
CAS Number:
64118-84-9
Molecular Weight:
312.15
UNSPSC Code:
12161501
NACRES:
NA.47
PubChem Substance ID:
24895589
MDL number:
MFCD01671980
Beilstein/REAXYS Number:
4198042

Key Documents

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InChI key

KGVXVPRLBMWZLG-UHFFFAOYSA-N

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)

assay

≥98% (HPLC)

packaging

vial of 5 mg

storage temp.

−20°C

Quality Level

200

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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

WGK 3

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
0000317657
0000317657
SLCQ2435
SLCQ7947
SLCQ9946

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Metabolism of Drugs and Other Xenobiotics (2012)
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)
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)
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
Lu Liu et al.
Pharmaceutical biology, 55(1), 1868-1874 (2017-06-16)
Dihydromyricetin (DHM) is the most abundant and active flavonoid component isolated from Ampelopsis grossedentata (Hand-Mazz) W.T. Wang (Vitaceae) and it possesses numerous pharmacological activities. However, whether DHM affects the activity of human liver cytochrome P450 (CYP) enzymes remains unclear. The
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