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115453-82-2,MFCD00467588
Catalog No.:AA000FXI

115453-82-2 | 7-Ethoxy-4-(trifluoromethyl)-2H-chromen-2-one

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5mg
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10mg
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25mg
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000FXI
Chemical Name:
7-Ethoxy-4-(trifluoromethyl)-2H-chromen-2-one
CAS Number:
115453-82-2
Molecular Formula:
C12H9F3O3
Molecular Weight:
258.1933
MDL Number:
MFCD00467588
SMILES:
CCOc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Properties
Computed Properties
 
Complexity:
362  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
2  
XLogP3:
3.1  

Literature

Title: Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20130901

Title: Increase of human CYP1B1 activities by acidic phospholipids and kinetic deuterium isotope effects on CYP1B1 substrate oxidation.

Journal: Journal of biochemistry 20121101

Title: Characterization of inhibitory effects of perfluorooctane sulfonate on human hepatic cytochrome P450 isoenzymes: focusing on CYP2A6.

Journal: Chemico-biological interactions 20111115

Title: Polymorphic variants of cytochrome P450 2B6 (CYP2B6.4-CYP2B6.9) exhibit altered rates of metabolism for bupropion and efavirenz: a charge-reversal mutation in the K139E variant (CYP2B6.8) impairs formation of a functional cytochrome p450-reductase complex.

Journal: The Journal of pharmacology and experimental therapeutics 20110901

Title: Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity.

Journal: Biochemistry 20110607

Title: Comparison of in vitro metabolism of ticlopidine by human cytochrome P450 2B6 and rabbit cytochrome P450 2B4.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20110301

Title: Cytochrome P450-mediated hepatic metabolism of new fluorescent substrates in cats and dogs.

Journal: Journal of veterinary pharmacology and therapeutics 20101201

Title: A quantitative high-throughput 96-well plate fluorescence assay for mechanism-based inactivators of cytochromes P450 exemplified using CYP2B6.

Journal: Nature protocols 20100901

Title: Functional characterization of 26 CYP2B6 allelic variants (CYP2B6.2-CYP2B6.28, except CYP2B6.22).

Journal: Pharmacogenetics and genomics 20100701

Title: Beta sheet 2-alpha helix C loop of cytochrome P450 reductase serves as a docking site for redox partners.

Journal: Biochimica et biophysica acta 20100601

Title: Long-term cultivation of HepG2 liver cells encapsulated in alginate hydrogels: a study of cell viability, morphology and drug metabolism.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20100601

Title: Effects of cytochrome P450 inhibitors on the biotransformation of fluorogenic substrates by adult male rat liver microsomes and cDNA-expressed rat cytochrome P450 isoforms.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20100201

Title: Functional expression in Bacillus subtilis of mammalian NADPH-cytochrome P450 oxidoreductase and its spore-display.

Journal: Protein expression and purification 20090101

Title: Amino acid positions 69-132 of UGT1A9 are involved in the C-glucuronidation of phenylbutazone.

Journal: Archives of biochemistry and biophysics 20081001

Title: Identification and analysis of conserved sequence motifs in cytochrome P450 family 2. Functional and structural role of a motif 187RFDYKD192 in CYP2B enzymes.

Journal: The Journal of biological chemistry 20080801

Title: Rational engineering of human cytochrome P450 2B6 for enhanced expression and stability: importance of a Leu264->Phe substitution.

Journal: Molecular pharmacology 20071101

Title: Peroxynitrite inactivation of human cytochrome P450s 2B6 and 2E1: heme modification and site-specific nitrotyrosine formation.

Journal: Chemical research in toxicology 20071101

Title: Mutation of a single residue (K262R) in P450 2B6 leads to loss of mechanism-based inactivation by phencyclidine.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070801

Title: Re-engineering cytochrome P450 2B11dH for enhanced metabolism of several substrates including the anti-cancer prodrugs cyclophosphamide and ifosfamide.

Journal: Archives of biochemistry and biophysics 20070215

Title: Structure-activity relationship and elucidation of the determinant factor(s) responsible for the mechanism-based inactivation of cytochrome P450 2B6 by substituted phenyl diaziridines.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20061201

Title: Investigation of the role of cytochrome P450 2B4 active site residues in substrate metabolism based on crystal structures of the ligand-bound enzyme.

Journal: Archives of biochemistry and biophysics 20061101

Title: Metabolism of efavirenz and 8-hydroxyefavirenz by P450 2B6 leads to inactivation by two distinct mechanisms.

Journal: The Journal of pharmacology and experimental therapeutics 20060701

Title: Biochemical analysis of a chlorfenapyr-selected resistant strain of Tetranychus urticae Koch.

Journal: Pest management science 20060501

Title: Improvement in the expression of CYP2B6 by co-expression with molecular chaperones GroES/EL in Escherichia coli.

Journal: Protein expression and purification 20060401

Title: Determination of CYP2B6 component of 7-ethoxy-4-trifluoromethylcoumarin O-deethylation activity in human liver microsomes.

Journal: Methods in molecular biology (Clifton, N.J.) 20060101

Title: Expression and activity of CYP2E1 in circulating lymphocytes are not altered in diabetic individuals.

Journal: Pharmacological research 20050601

Title: Directed evolution of mammalian cytochrome P450 2B1: mutations outside of the active site enhance the metabolism of several substrates, including the anticancer prodrugs cyclophosphamide and ifosfamide.

Journal: The Journal of biological chemistry 20050520

Title: Comparative acaricide susceptibility and detoxifying enzyme activities in field-collected resistant and susceptible strains of Tetranychus urticae.

Journal: Pest management science 20050501

Title: Functional role of residues in the helix B' region of cytochrome P450 2B1.

Journal: Archives of biochemistry and biophysics 20050301

Title: Effects of ionic strength on the functional interactions between CYP2B4 and CYP1A2.

Journal: Biochemistry 20050222

Title: EpoK, a cytochrome P450 involved in biosynthesis of the anticancer agents epothilones A and B. Substrate-mediated rescue of a P450 enzyme.

Journal: Biochemistry 20041123

Title: Identification of amino acid residues involved in the inactivation of cytochrome P450 2B1 by two acetylenic compounds: the role of three residues in nonsubstrate recognition Sites.

Journal: The Journal of pharmacology and experimental therapeutics 20041001

Title: Metabolism of human cytochrome P450 marker substrates in mouse: a strain and gender comparison.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20040901

Title: Mutagenesis and molecular dynamics suggest structural and functional roles for residues in the N-terminal portion of the cytochrome P450 2B1 I helix.

Journal: Archives of biochemistry and biophysics 20040315

Title: Mechanistic studies with N-benzyl-1-aminobenzotriazole-inactivated CYP2B1: differential effects on the metabolism of 7-ethoxy-4-(trifluoromethyl)coumarin, testosterone, and benzphetamine.

Journal: Archives of biochemistry and biophysics 20040315

Title: Threonine-205 in the F helix of p450 2B1 contributes to androgen 16 beta-hydroxylation activity and mechanism-based inactivation.

Journal: The Journal of pharmacology and experimental therapeutics 20030801

Title: Functional characterization of cytochrome P450 2B6 allelic variants.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20030401

Title: Comparison of substrate metabolism by cytochromes P450 2B1, 2B4, and 2B6: relationship of heme spin state, catalysis, and the effects of cytochrome b5.

Journal: Journal of inorganic biochemistry 20030115

Title: Essential requirements for substrate binding affinity and selectivity toward human CYP2 family enzymes.

Journal: Archives of biochemistry and biophysics 20030101

Title: Analysis of differential substrate selectivities of CYP2B6 and CYP2E1 by site-directed mutagenesis and molecular modeling.

Journal: The Journal of pharmacology and experimental therapeutics 20030101

Title: Substrate routes to the buried active site may vary among cytochromes P450: mutagenesis of the F-G region in P450 2B1.

Journal: Chemical research in toxicology 20021101

Title: Effect of tamoxifen on the enzymatic activity of human cytochrome CYP2B6.

Journal: The Journal of pharmacology and experimental therapeutics 20020601

Title: Combined three-dimensional quantitative structure-activity relationship analysis of cytochrome P450 2B6 substrates and protein homology modeling.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020101

Title: Effects of plant-derived phenols on rat liver cytochrome P450 2B1 activity.

Journal: Anticancer research 20020101

Title: A truncation of 2B subfamily cytochromes P450 yields increased expression levels, increased solubility, and decreased aggregation while retaining function.

Journal: Archives of biochemistry and biophysics 20011101

Title: Examination of purported probes of human CYP2B6.

Journal: Pharmacogenetics 19970601

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Tags:115453-82-2 Molecular Formula|115453-82-2 MDL|115453-82-2 SMILES|115453-82-2 7-Ethoxy-4-(trifluoromethyl)-2H-chromen-2-one