Home Sulfos Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoro-

Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoro-

CAS No.:
290315-45-6
Catalog Number:
AG002V9Y
Molecular Formula:
C24H21ClF3NO4S
Molecular Weight:
511.9410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$140
- +
10mg
98%
1 week
United States
$210
- +
25mg
98%
1 week
United States
$335
- +
50mg
98%
1 week
United States
$515
- +
100mg
98%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG002V9Y
Chemical Name:
Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoro-
CAS Number:
290315-45-6
Molecular Formula:
C24H21ClF3NO4S
Molecular Weight:
511.9410
MDL Number:
MFCD12963627
IUPAC Name:
4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
InChI:
InChI=1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1
InChI Key:
IZAOBRWCUGOKNH-OAHLLOKOSA-N
SMILES:
OC(=O)CCCc1cc(F)ccc1[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)c1cc(F)ccc1F)C
Properties
Complexity:
775  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
511.083g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
511.94g/mol
Monoisotopic Mass:
511.083g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Metabolism-directed design of oxetane-containing arylsulfonamide derivatives as γ-secretase inhibitors. Journal of medicinal chemistry 20111124
Modulation of gamma-secretase reduces beta-amyloid deposition in a transgenic mouse model of Alzheimer's disease. Neuron 20100909
Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease. Journal of medicinal chemistry 20091022
Studies on the pharmacokinetics and metabolism of a gamma-secretase inhibitor BMS-299897, and exploratory investigation of CYP enzyme induction. Xenobiotica; the fate of foreign compounds in biological systems 20090701
The amyloid-beta rise and gamma-secretase inhibitor potency depend on the level of substrate expression. The Journal of biological chemistry 20080822
Qualitative and quantitative characterization of the amyloid beta peptide (Abeta) population in biological matrices using an immunoprecipitation-LC/MS assay. Journal of neuroscience methods 20080315
Signal peptide peptidase and gamma-secretase share equivalent inhibitor binding pharmacology. The Journal of biological chemistry 20071221
Liquid-liquid extraction of strongly protein bound BMS-299897 from human plasma and cerebrospinal fluid, followed by high-performance liquid chromatography/tandem mass spectrometry. Journal of pharmaceutical and biomedical analysis 20070411
In vitro and in vivo metabolism of a gamma-secretase inhibitor BMS-299897 and generation of active metabolites in milligram quantities with a microbial bioreactor. Current drug metabolism 20061201
Synthesis of biotinylated photoaffinity probes based on arylsulfonamide gamma-secretase inhibitors. Bioorganic & medicinal chemistry letters 20060815
Reductions in beta-amyloid concentrations in vivo by the gamma-secretase inhibitors BMS-289948 and BMS-299897. Biochemical pharmacology 20050215
Properties