1123173-00-1

Basic information

• Product Name: (3R,4S,5S)-3-((3-(tert-butyl)benzyl)-amino)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiothiopyran
• Synonyms: (3R,4S,5S)-3-((3-(tert-butyl)benzyl)-amino)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiothiopyran
• CAS NO: 1123173-00-1
• Molecular Weight: 436.434
• Mol File: 1123173-00-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: (3R,4S,5S)-3-((3-(tert-butyl)benzyl)-amino)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiothiopyran(CAS DataBase Reference)
• NIST Chemistry Reference: (3R,4S,5S)-3-((3-(tert-butyl)benzyl)-amino)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiothiopyran(1123173-00-1)
• EPA Substance Registry System: (3R,4S,5S)-3-((3-(tert-butyl)benzyl)-amino)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiothiopyran(1123173-00-1)

Safety Data

• Hazardous Substances Data: 1123173-00-1(Hazardous Substances Data)

Upstream product

• 1123172-99-5 ((3R,4S,5S)-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxy-1,1-dioxidotetrahydro-2H-thiopyran-3-yl)carbamate 
• 67567-26-4 4-bromo-2,6-difluoroaniline 
• 147808-42-2 5-bromo-1,3-difluoro-2-nitro-benzene 
• 1123172-90-6 5-(bromomethyl)-1,3-difluoro-2-nitro-benzene 
• 1123172-89-3 (3,5-difluoro-4-nitrophenyl)methanol 
• 1123172-87-1 methyl 3,5-difluoro-4-nitrobenzoate 

Downstream Products

• 1204343-82-7 (3R,4S,5S)-3-amino-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide hydrochloride 
• 1204343-84-9 (3R,4S,5S)-3-((3-(tert-butyl)benzyl)amino)-5-(3,5-difluoro-4-nitro-benzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide 
• 1367877-83-5 C₂₅H₃₃FN₂O₆S 
• 1123173-71-6 C₂₇H₃₇FN₂O₄S 
• 1204342-83-5 (3S,4S,5R)-3-(4-amino-3-fluoro-5-(oxetan-3-yloxy)benzyl)-5-((3-(tert-butyl)benzyl)amino)-4hydroxytetrahydro-2H-thiopyran 1,1-dioxide 
• 1368856-11-4 (3S,4S,5R)-3-(4-amino-3-fluoro-5-(2-fluoroethoxy)benzyl)-5-((3-(tert-butyl)benzyl)amino)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide dihydrochloride 
• 1204343-85-0 C₂₆H₃₅FN₂O₇S 

Relevant articles and documents

Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: Structure based design and in vivo reduction of amyloid β-peptides

Previous structure based optimization in our laboratories led to the identification of a novel, high-affinity cyclic sulfone hydroxyethylamine- derived inhibitor such as 1 that lowers CNS-derived Aβ following oral administration to transgenic APP51/16 mice. Herein we report SAR development in the S3 and S2′ subsites of BACE1 for cyclic sulfoxide hydroxyethyl amine inhibitors, the synthetic approaches employed in this effort, and in vivo data for optimized compound such as 11d.

AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS

The invention relates to novel heterocyclic compounds of the formula in which all of the variables are as defined in the specification, in free form or in salt form, to their preparation, to their use as medicaments and to medicaments comprising them.