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Bms-708163

CAS No.:
1146699-66-2
Catalog Number:
AG000EZW
Molecular Formula:
C20H17ClF4N4O4S
Molecular Weight:
520.8850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
96%
1 week
United States
$268
- +
10mg
≥98%
1 week
United States
$446
- +
50mg
96%
1 week
United States
$1271
- +
Product Description
Catalog Number:
AG000EZW
Chemical Name:
Bms-708163
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
Properties