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Merck
CN

UC455

3-Cyano-7-ethoxycoumarin

≥97% (HPLC)

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About This Item

Empirical Formula (Hill Notation):
C12H9NO3
CAS Number:
117620-77-6
Molecular Weight:
215.20
UNSPSC Code:
12161501
PubChem Substance ID:
24724658
MDL number:
MFCD00467359

Key Documents

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InChI

1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3

SMILES string

CCOc1ccc2C=C(C#N)C(=O)Oc2c1

InChI key

YAFGHMIAFYQSCF-UHFFFAOYSA-N

assay

≥97% (HPLC)

form

solid

color

yellow to orange

storage temp.

2-8°C

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General description

3-Cyano-7-ethoxycoumarin is a fluorescent substrate for Cytochrome P450 1A1 (CYP1A1), Cytochrome P450 1A2 (CYP1A2), Cytochrome P450 2C9 (CYP2C9) and Cytochrome P450 2C19 (CYP2C19).

Application

3-Cyano-7-ethoxycoumarin has been used as a substrate in cytochrome P (CYP) inhibition for fluorescence measurement.

Biochem/physiol Actions

Fluorescent probe useful in microsomal dealkylase studies.
Fluorescent probe useful in microsomal dealkylase studies. Typical drug-drug interactions resulting from enzyme inhibition.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Preparation Note

3-Cyano-7-ethoxycoumarin is soluble in DMSO.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1385534V
065K3265
1385534

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Rapid determination of enzyme activities of recombinant human cytochromes P450, human liver microsomes and hepatocytes
Ghosal A, et al.
Biopharmaceutics & Drug Disposition, 24(9), 375-384 (2003)
Anima Ghosal et al.
Biopharmaceutics & drug disposition, 24(9), 375-384 (2003-12-23)
Cytochrome P450 (CYP) substrates that yield fluorescent metabolites were used for rapid screening of drug metabolism activities of 13 recombinant human cytochromes P450, human liver microsomes and human hepatocytes. Reproducible results were obtained using a fluorescent plate reader (CytoFluor) more
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