46127
7-Ethoxy-4-(trifluoromethyl)coumarin
suitable for fluorescence, ≥98.0% (TLC)
Synonym(s):
Ethyl 4-(trifluoromethyl)umbelliferyl ether
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About This Item
Empirical Formula (Hill Notation):
C12H9F3O3
CAS Number:
Molecular Weight:
258.19
PubChem Substance ID:
UNSPSC Code:
12352204
Beilstein/REAXYS Number:
8555209
MDL number:
assay
≥98.0% (TLC)
solubility
DMF: soluble, DMSO: soluble, methanol: soluble
fluorescence
λex 333 nm; λem 415 nm in methanol
suitability
suitable for fluorescence
SMILES string
CCOc1ccc2c(OC(=O)C=C2C(F)(F)F)c1
InChI
1S/C12H9F3O3/c1-2-17-7-3-4-8-9(12(13,14)15)6-11(16)18-10(8)5-7/h3-6H,2H2,1H3
InChI key
OLHOIERZAZMHGK-UHFFFAOYSA-N
Other Notes
Substrate for monitoring the activity of cytochrome P450
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Emily E Scott et al.
Chemical research in toxicology, 15(11), 1407-1413 (2002-11-20)
Until recently, all known structures of bacterial cytochromes P450 suggested that substrate access to the buried active site occurred via the F-G region, a surface loop distal to the heme cavity. However, the structure of P450 51 indicates a large
Shih-Feng Lan et al.
Toxicology in vitro : an international journal published in association with BIBRA, 24(4), 1314-1323 (2010-02-23)
In this study, we have evaluated the use of ultra-sterile alginate hydrogels encapsulated with HepG2 liver cells for applications in high throughput drug screening. We have studied the cellular viability and metabolic capacity of the encapsulated cells in two different
Chitra Sridar et al.
The Journal of pharmacology and experimental therapeutics, 301(3), 945-952 (2002-05-23)
Tamoxifen is primarily used in the treatment of breast cancer. It has been approved as a chemopreventive agent for individuals at high risk for this disease. Tamoxifen is metabolized to a number of different products by cytochrome P450 enzymes. The
Haoming Zhang et al.
The Journal of pharmacology and experimental therapeutics, 338(3), 803-809 (2011-06-11)
In this study, metabolism of bupropion, efavirenz, and 7-ethoxy-4-trifluoromethylcoumarin (7-EFC) by CYP2B6 wild type (CYP2B6.1) and six polymorphic variants (CYP2B6.4 to CYP2B6.9) was investigated in a reconstituted system to gain a better understanding of the effects of the mutations on
Ute M Kent et al.
Archives of biochemistry and biophysics, 423(2), 277-287 (2004-03-06)
Mechanistic studies with N-benzyl-1-aminobenzotriazole (BBT)-inactivated cytochrome P450 2B1 were conducted to determine which step(s) in the reaction cycle had been compromised. Stopped-flow studies, formation of the oxy-ferro intermediate, and analysis of products suggested that the reductive process was slower with
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