1206524-83-5

Basic information

• Product Name: 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-
• Synonyms: 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-;Methyl (33R,35S,91R,92R,5S,E)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphan-13-ene-35-carboxylate
• CAS NO: 1206524-83-5
• Molecular Formula: C30H38N4O7
• Molecular Weight: 566.64532
• Mol File: 1206524-83-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 783.1±60.0 °C(Predicted)
• Appearance: /
• Density: 1.30±0.1 g/cm3(Predicted)
• PKA: 11.10±0.60(Predicted)
• CAS DataBase Reference: 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-(CAS DataBase Reference)
• NIST Chemistry Reference: 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-(1206524-83-5)
• EPA Substance Registry System: 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-(1206524-83-5)

Safety Data

• Hazardous Substances Data: 1206524-83-5(Hazardous Substances Data)

Upstream product

• 31910-18-6 2,3-dihydroxy-6-methoxyquinoxaline 
• 124471-62-1 (E)-(hepta-1,6-dien-1-yloxy)trimethylsilane 
• 144164-32-9 methyl 3-methyl-N-(oxomethylene)-L-valinate 
• 63038-27-7 L-tert-leucine methyl ester hydrochloride 
• 59548-39-9 4-methoxyphenylene-1,2-diamine dihydrochloride 
• 1206524-81-3 (2S,4R)-methyl 4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)pyrrolidine-2-carboxylate 
• 1026200-27-0 3-methyl-N-({[(1R,2R)-2-pent-4-en-1-ylcyclopropyl]oxy}carbonyl)-L-valine 
• 1026200-25-8 methyl 3-methyl-N-({[(1R,2R)-2-pent-4-en-1-ylcyclopropyl]oxy}carbonyl)-L-valinate 
• 1384277-05-7 trans 2-(pent-4-en-1-yl)cyclopropanol 
• 1361028-94-5 methyl (4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-L-prolinate hydrochloride 
• 1206524-79-9 1-(tert-butyl) 2-methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate 
• 1206524-82-4 methyl 3-methyl-N-({[(1R,2R)-2-pent-4-en-1-ylcyclopropyl]oxy}carbonyl)-L-valyl-(4R)-4-[(7-methoxy-3-vinylquinoxalin-2-yl)oxy]-L-prolinate 

Downstream Products

• 1206524-84-6 methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxa-diazacyclononadecino[11,12-b]quinoxaline-8-carboxylate 
• 1350514-68-9 grazoprevir 

Relevant articles and documents

Discovery of MK-5172, a macrocyclic hepatitis C virus NS3/4a protease inhibitor

A new class of HCV NS3/4a protease inhibitors containing a P2 to P4 macrocyclic constraint was designed using a molecular modeling-derived strategy. Building on the profile of previous clinical compounds and exploring the P2 and linker regions of the series allowed for optimization of broad genotype and mutant enzyme potency, cellular activity, and rat liver exposure following oral dosing. These studies led to the identification of clinical candidate 15 (MK-5172), which is active against genotype 1-3 NS3/4a and clinically relevant mutant enzymes and has good plasma exposure and excellent liver exposure in multiple species.