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T2803

7-Ethoxy-4-(trifluoromethyl)coumarin

≥98% (TLC), powder

Synonym(s):

Ethyl 4-(trifluoromethyl)umbelliferyl ether

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About This Item

Empirical Formula (Hill Notation):
C12H9F3O3
CAS Number:
115453-82-2
Molecular Weight:
258.19
NACRES:
NA.32
PubChem Substance ID:
24900082
UNSPSC Code:
12352204
MDL number:
MFCD00467588
Beilstein/REAXYS Number:
8555209
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Product Name

7-Ethoxy-4-(trifluoromethyl)coumarin, ≥98% (TLC)

Quality Level

100

assay

≥98% (TLC)

form

powder

solubility

chloroform: 100 mg/mL, clear, colorless (Soluble in chloroform, methanol, and DMSO.)

fluorescence

λex 333 nm; λem 415 nm in methanol

storage temp.

−20°C

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

Features and Benefits

7-Ethoxy-4-(trifluoromethyl)coumarin is a fluorogenic substrate for cytochrome P-450 catalyzed O-de-ethylation.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK7698
BCCH9325
BCCF9853
BCCF2735
BCCD6331

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J G DeLuca et al.
Biochemical pharmacology, 37(9), 1731-1739 (1988-05-01)
The microsomal O-deethylation of a novel coumarin analog, 7-ethoxy-4-trifluoromethylcoumarin (EFC), to a fluorescent product was characterized. Results indicate that this analog provides a rapid, convenient and highly sensitive means to assay cytochrome P-450-mediated metabolism. Like microsomal 7-ethoxycoumarin (7-EC) O-deethylation, EFC
Xilin Li et al.
Toxicological sciences : an official journal of the Society of Toxicology, 175(2), 251-265 (2020-03-12)
Metabolism plays a key role in chemical genotoxicity; however, most mammalian cells used for in vitro genotoxicity testing lack effective metabolizing enzymes. We recently developed a battery of TK6-derived cell lines that individually overexpress 1 of 8 cytochrome P450s (CYP1A1
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
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Global Trade Item Number

SKUGTIN
T2803-5MG04061832910253