B5057
7-Benzyloxy-4-trifluoromethylcoumarin
≥99% (HPLC), solid
Synonym(s):
7-BFC
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About This Item
Empirical Formula (Hill Notation):
C17H11F3O3
Molecular Weight:
320.26
UNSPSC Code:
12161501
PubChem Substance ID:
NACRES:
NA.47
MDL number:
Product Name
7-Benzyloxy-4-trifluoromethylcoumarin, ≥99% (HPLC), solid
SMILES string
FC(F)(F)C1=CC(=O)Oc2cc(OCc3ccccc3)ccc12
InChI
1S/C17H11F3O3/c18-17(19,20)14-9-16(21)23-15-8-12(6-7-13(14)15)22-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI key
WVKLERKKJXUPIK-UHFFFAOYSA-N
assay
≥99% (HPLC)
form
solid
storage temp.
−20°C
Quality Level
Gene Information
rat ... Maoa(29253), Maob(25750)
Application
7-Benzyloxy-4-trifluoromethylcoumarin has been used:
- in the SBAD2-3x-AAGLY hepatocyte-like cell (HLC) functional assay to measure the cytochrome P450 3A4 (CYP3A4)-dependent activity
- in O-dealkylation reaction to determine the activity of CYP3A
- to measure the activity of CYP3A-mediated 7-benzyloxy-4-trifluoromethylcoumarin O-debenzylase activity (BFCOD)
Biochem/physiol Actions
Metabolized primarily by cytochrome P450 isozymes CYP1A2 and CYP3A4.
Legal Information
Supplied by Gentest Corp., U.S. Patent Nos. 6,207,404.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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