Home Carboxys [(1R)-3-oxo-1H-2-benzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

[(1R)-3-oxo-1H-2-benzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

CAS No.:
66898-62-2
Catalog Number:
AG00IMKI
Molecular Formula:
C21H13F3N2O4
Molecular Weight:
414.3341
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
>98%(HPLC)
In Stock USA
United States
$73
- +
25mg
>98%(HPLC)
In Stock USA
United States
$151
- +
Product Description
Catalog Number:
AG00IMKI
Chemical Name:
[(1R)-3-oxo-1H-2-benzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CAS Number:
66898-62-2
Molecular Formula:
C21H13F3N2O4
Molecular Weight:
414.3341
MDL Number:
MFCD00866135
IUPAC Name:
(3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
InChI:
InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)
InChI Key:
ANMLJLFWUCQGKZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Nc1cccc(c1)C(F)(F)F)OC1OC(=O)c2c1cccc2
Properties
Complexity:
644  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.083g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
414.34g/mol
Monoisotopic Mass:
414.083g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Contribution of pH to systemic exposure of niflumic acid following oral administration of talniflumate. European journal of clinical pharmacology 20110401
Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors. Bioorganic & medicinal chemistry letters 20091201
Determination of talniflumate and niflumic acid in human plasma by liquid chromatography-tandem mass spectrometry. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20090401
Liquid chromatography-mass spectrometric method for the sensitive determination of niflumic acid in human plasma and its application to pharmacokinetic study of talniflumate tablet. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20081215
Effect of food on systemic exposure to niflumic acid following postprandial administration of talniflumate. European journal of clinical pharmacology 20081001
Talniflumate increases survival in a cystic fibrosis mouse model of distal intestinal obstructive syndrome. The Journal of pharmacology and experimental therapeutics 20060401
Quantitation of niflumic acid in human plasma by high-performance liquid chromatography with ultraviolet absorbance detection and its application to a bioequivalence study of talniflumate tablets. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050725
Simultaneous determination of niflumic acid and its prodrug, talniflumate in human plasma by high performance liquid chromatography. Biomedical chromatography : BMC 20050101
Talniflumate (Genaera). Current opinion in investigational drugs (London, England : 2000) 20040501
Properties