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290315-45-6 | Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoro-
CAS No: 290315-45-6 Catalog No: AG002V9Y MDL No:MFCD12963627
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 |
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