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1146699-66-2 | Pentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-, (2R)-
CAS No: 1146699-66-2 Catalog No: AG000EZW MDL No:MFCD13195458
Product Description
Catalog Number:
AG000EZW
Chemical Name:
Pentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-, (2R)-
CAS Number:
1146699-66-2
Molecular Formula:
C20H17ClF4N4O4S
Molecular Weight:
520.8850
MDL Number:
MFCD13195458
IUPAC Name:
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
InChI:
InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
InChI Key:
XEAOPVUAMONVLA-QGZVFWFLSA-N
SMILES:
NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F
UNII:
TQ44WWY45Q
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
520.06g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
520.884g/mol
Monoisotopic Mass:
520.06g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Nonclinical Safety Assessment of the γ-Secretase Inhibitor Avagacestat. | Toxicological sciences : an official journal of the Society of Toxicology 20180601 |
| Discovery of (R)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline (ELND006) and (R)-4-cyclopropyl-8-fluoro-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-4,5-dihydro-2H-pyrazolo[4,3-c]quinoline (ELND007): metabolically stable γ-secretase Inhibitors that selectively inhibit the production of amyloid-β over Notch. | Journal of medicinal chemistry 20130711 |
| Safety and tolerability of the γ-secretase inhibitor avagacestat in a phase 2 study of mild to moderate Alzheimer disease. | Archives of neurology 20121101 |
| Degradation kinetics and mechanism of an oxadiazole derivative, design of a stable drug product for BMS-708163, a γ-secretase inhibitor drug candidate. | Journal of pharmaceutical sciences 20120901 |
| Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active γ-secretase inhibitor. | Journal of medicinal chemistry 20120412 |
| Quantitative pharmacokinetic/pharmacodynamic analyses suggest that the 129/SVE mouse is a suitable preclinical pharmacology model for identifying small-molecule γ-secretase inhibitors. | The Journal of pharmacology and experimental therapeutics 20111201 |
| Metabolism-directed design of oxetane-containing arylsulfonamide derivatives as γ-secretase inhibitors. | Journal of medicinal chemistry 20111124 |
| Development and validation of sensitive and selective LC-MS/MS methods for the determination of BMS-708163, a gamma-secretase inhibitor, in plasma and cerebrospinal fluid using deprotonated or formate adduct ions as precursor ions. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100901 |
| 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 |
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