1206524-84-6

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,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,22aR)-
• Synonyms: MK-5172 intermediate;MK-5172 Intermediate 1;(1aR,5S,8S,10R,22aR)-5-(1,1-Dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid methyl ester;methyl(33R,35S,91R,92R,5S)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylate;8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester;8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,22aR)-;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-
• CAS NO: 1206524-84-6
• Molecular Formula: C30H40N4O7
• Molecular Weight: 568.6612
• EINECS: 1592732-453-0
• Mol File: 1206524-84-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 778.9±60.0 °C(Predicted)
• Appearance: /
• Density: 1.28±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,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,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,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,22aR)-(1206524-84-6)
• 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,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,22aR)-(1206524-84-6)

Safety Data

• Hazardous Substances Data: 1206524-84-6(Hazardous Substances Data)

Usage

Uses

(1aR,5S,8S,10R,22aR)-5-(1,1-Dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic Acid Methyl Ester is an antiviral agent and Grazoprevir (M424985) intermediate. Grazoprevir is a second-generation NS3/4A protease inhibitor. It is a COVID19-related research product.

Upstream product

• 31910-18-6 2,3-dihydroxy-6-methoxyquinoxaline 
• 102-51-2 4-methoxy-1,2-phenylenediamine 
• 96-96-8 4-methoxy-2-nitroaniline 
• 102337-17-7 ethyl 2-oxo-5-hexenoate 
• 1026204-22-7 1-(tert-butyl) 2-methyl (2S,4R)-4-((3-(but-3-en-1-yl)-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate 
• 1224174-07-5 (S)-1-chlorohept-6-en-2-ol 
• 1425038-21-6 (S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid tert-butylamine salt 
• 1425038-26-1 C₃₀H₄₂N₄O₈ 
• 1425038-23-8 methyl (1aR,5S,8S,10R,22aR)-5-tert-butyl-14-methoxy-3,6-dioxo-18,19-didehydro-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3, 6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate 
• 1425038-22-7 (S )-2-(((1R,2R)-2-(5-(6-methoxy-3-((3R,5S)-5-(methoxycarbonyl)pyrrolidin-3-yloxy)quinoxalin-2-yl)pent-4-ynyl)cyclopropoxy)carbonylamino)-3,3-dimethylbutanoicacid 
• 1425038-20-5 (2S,4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-2-(methoxycarbonyl)pyrrolidin-1-ium methanesulfonate 
• 1425038-19-2 (S)-3,3-dimethyl-2-(((1R,2R)-2-(pent-4-ynyl)cyclopropoxy)carbonylamino)butanoic acid 

Downstream Products

• 1206524-85-7 (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-tetradeca-hydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid hydrate 
• 1350514-68-9 grazoprevir 

Relevant articles and documents

Synthesis of Grazoprevir, a Potent NS3/4a Protease Inhibitor for the Treatment of Hepatitis C Virus

An efficient synthesis of grazoprevir is reported. Starting from four readily available building blocks, grazoprevir is prepared in 51% overall yield and >99.9% purity for pharmaceutical use.

METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS

The present invention includes compounds useful as intermediates in the preparation of macrolactams, methods for preparing the intermediates, and methods for preparing macrolactams. One use of the methods and intermediates described herein is in the production of macrolactam compounds able to inhibit HCV NS3 protease activity. HCV NS3 inhibitory compounds have therapeutic and research applications.

METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS

The present invention relates to synthetic processes useful in the preparation of macrolactams that inhibit hepatitis C virus (HCV), specifically macrolactam compounds that inhibit the HCV NS3 protease activity and have application in the treatment of conditions caused by HCV. The present invention also encompasses intermediates useful in the disclosed synthetic processes and the methods of their preparation.