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Safety Information

UC455

Sigma-Aldrich

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
MDL number:
MFCD00467359
UNSPSC Code:
12161501
PubChem Substance ID:
24724658

Assay

≥97% (HPLC)

form

solid

color

yellow to orange

storage temp.

2-8°C

SMILES string

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

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

InChI key

YAFGHMIAFYQSCF-UHFFFAOYSA-N

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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

Signal Word

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

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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Anima Ghosal et al.
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