| Identification | Back Directory | [Name]
3-CYANO-7-ETHOXYCOUMARIN | [CAS]
117620-77-6 | [Synonyms]
3-CYANO-7-ETHOXYCOUMARIN
CEC [3-Cyano-7-ethoxycoumarin
7-ETHOXYCOUMARIN-3-CARBONITRILE
7-Ethoxy-2-oxo-2H-chroMene-3-carbonitrile
3-CYANO-7-ETHOXYCOUMARIN ISO 9001：2015 REACH
7-Ethoxy-2-oxo-2H-1-benzopyran-3-carbonitrile
2H-1-Benzopyran-3-carbonitrile, 7-ethoxy-2-oxo-
CEC [3-Cyano-7-ethoxycoumarin] *CAS 117620-77-6*
2H-1-Benzopyran-3-carbonitrile,7-ethoxy-2-oxo-(9CI)
3-Cyano-7-ethoxycoumarin [7-Ethoxycoumarin-3-carbonitrile] *Cytochrome P450 Substrate* | [EINECS(EC#)]
200-562-0 | [Molecular Formula]
C12H9NO3 | [MDL Number]
MFCD00467359 | [MOL File]
117620-77-6.mol | [Molecular Weight]
215.2 |
| Chemical Properties | Back Directory | [Melting point ]
210-212°C | [Boiling point ]
396.8±42.0 °C(Predicted) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble
| [form ]
Solid | [color ]
yellow to orange
| [λmax]
356 nm (Buffer pH7); 355 nm(MeOH) | [Biological Applications]
As a substrate for
measuring cytochrome P450 enzymes activity;
cytochrome P450 inhibition assays;
drug design;
drug metabolism;
treating viral or parasite
infections. | [InChI]
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 | [InChIKey]
YAFGHMIAFYQSCF-UHFFFAOYSA-N | [SMILES]
C1(=O)OC2=CC(OCC)=CC=C2C=C1C#N |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22-36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3
| [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Substrate for determination of cytochrom P-450 dependent oxidases; about 50-100 times more sensitive than conventional substrate ethoxy-resorufin due to higher turn over rate. | [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). | [Biochem/physiol Actions]
Fluorescent probe useful in microsomal dealkylase studies. Typical drug-drug interactions resulting from enzyme inhibition. | [storage]
Store at -20°C |
|
|