B5057

7-Benzyloxy-4-trifluoromethylcoumarin

≥99% (HPLC), solid

• Synonym(s): 7-BFC
• Empirical Formula (Hill Notation): C₁₇H₁₁F₃O₃
• Molecular Weight: 320.26
• UNSPSC Code: 12161501
• PubChem Substance ID: 24891807
• NACRES: NA.47
• MDL number: MFCD01564466

Properties

• Product Name: 7-Benzyloxy-4-trifluoromethylcoumarin, ≥99% (HPLC), solid
• Quality Segment: 100
• assay: ≥99% (HPLC)
• form: solid
• storage temp.: −20°C
• 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
• Gene Information: rat ... Maoa(29253), Maob(25750)

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• 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