1027890-13-6

Basic information

• Product Name: 2-[2-((S)-7-Amino-8-hydroxy-octyl)-benzyl]-malonic acid monomethyl ester
• Synonyms: 2-[2-((S)-7-Amino-8-hydroxy-octyl)-benzyl]-malonic acid monomethyl ester
• CAS NO: 1027890-13-6
• Molecular Weight: 351.443
• Mol File: 1027890-13-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-[2-((S)-7-Amino-8-hydroxy-octyl)-benzyl]-malonic acid monomethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[2-((S)-7-Amino-8-hydroxy-octyl)-benzyl]-malonic acid monomethyl ester(1027890-13-6)
• EPA Substance Registry System: 2-[2-((S)-7-Amino-8-hydroxy-octyl)-benzyl]-malonic acid monomethyl ester(1027890-13-6)

Safety Data

• Hazardous Substances Data: 1027890-13-6(Hazardous Substances Data)

Upstream product

• 162955-48-8 [(1S)-4-hydroxy-1-(hydroxymethyl)butyl]carbamic acid tert-butyl ester 
• 130696-54-7 diethyl (tert-butoxycarbonyl)-L-glutamate 
• 6630-33-7 ortho-bromobenzaldehyde 
• 144090-56-2 2,2-dimethyl-3-<(1,1-dimethylethoxy)carbonyl>-4(S)-oxazolidinepropanal 
• 113163-20-5 1-bromo-2-(3-iodopropyl)benzene 
• 136923-04-1 tert-butyl (4S)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 
• 93098-67-0 diethyl <(2-bromophenyl)methylene>propanedioate 
• 58380-12-4 <(2-bromophenyl)methyl>propanedicarboxylic acid 
• 52221-92-8 3-(2-bromo-phenyl)-propan-1-ol 
• 15115-58-9 3-(2-bromophenyl)propionic acid 
• 66192-11-8 diethyl 2-(2-bromobenzyl)propan-1,3-dioate 
• 1027660-71-4 2-{2-[6-((S)-3-tert-Butoxycarbonyl-2,2-dimethyl-oxazolidin-4-yl)-hexyl]-benzyl}-malonic acid monomethyl ester 

Relevant articles and documents

Ortho-substituted benzofused macrocyclic lactams as zinc metalloprotease inhibitors

The design and preparation of ortho-substituted benzofused macrocyclic lactams are described. The benzofused macrocyclic lactams were designed as neutral endopeptidase 24.11 (NEP) inhibitors. Docking studies were carried out in a model of thermolysin (TLN) using the MACROMODEL and QXP modeling programs to select suitable ring sizes. These studies predicted that the 11- , 12-, and 13-membered ring macrocyclic lactams would be active in both enzymes TLN and NEP. Good predictability of experimental results, within this series, of binding to thermolysin and to a lesser extent to NEP was observed. A visual comparison, docked at the active site of TLN, is presented for thiorphan, a 10-membered ring macrocycle and an 11-membered ring benzofused macrocyclic lactam. Potent inhibition of both NEP and thermolysin was obtained. The 11-membered ring macrocycle 25a is the most potent inhibitor from this series of compounds (TLN IC50 = 68 nM; NEP IC50 = 0.9 nM). The effects of prodrug 44b administered at 10 mg/kg po on plasma atrial natriuretic peptide (ANP) levels in conscious rats was greater than 200% over a 4 h period.