1425038-19-2

Basic information

• Product Name: (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid
• Synonyms: (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid;3-Methyl-N-[[[(1R,2R)-2-(4-pentyn-1-yl)cyclopropyl]oxy]carbonyl]-L-valine;(S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid;Grazoprevir int;(S)-3,3-dimethyl-2-(((1R,2R)-2-(pent-4-ynyl)cyclopropoxy)carbonylamino)butanoic acid;Grazoprevir Intermediate 3;2-methylpropan-2-amine(S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butanoate;EOS-62311
• CAS NO: 1425038-19-2
• Molecular Formula: C15H23NO4
• Molecular Weight: 281.34742
• EINECS: 1592732-453-0
• Product Categories: intermediates
• Mol File: 1425038-19-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 424.8±28.0 °C(Predicted)
• Appearance: /
• Density: 1.12±0.1 g/cm3(Predicted)
• PKA: 4.01±0.10(Predicted)
• CAS DataBase Reference: (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid(CAS DataBase Reference)
• NIST Chemistry Reference: (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid(1425038-19-2)
• EPA Substance Registry System: (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid(1425038-19-2)

Safety Data

• Hazardous Substances Data: 1425038-19-2(Hazardous Substances Data)

Usage

General Description

The chemical known as "(s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl-CyclopropoxycarbonylaMino)-butyric acid" is a compound with a complex structure. It is classified as an alpha-amino acid derivative and contains a cyclopropoxycarbonyl group, pent-4-ynyl side chain, and two methyl groups. (s)-3,3-diMethyl-2-((1r,2r)-2-pent-4-ynyl- CyclopropoxycarbonylaMino)-butyricacid is commonly used in organic synthesis and pharmaceutical research due to its potential biological activity and its ability to form stable derivatives. Its unique structure gives it the potential to interact with various biological targets, making it a valuable molecule for drug discovery and development. Additionally, its chiral nature allows for potential asymmetric synthesis and the creation of enantiopure compounds.

Upstream product

• 20859-02-3 L-tert-Leucine 
• 1350619-77-0 (1R,2R)-2-(pent-4-yn-1-yl)cyclopropan-1-ol 
• 154820-95-8 2-(5-chloropent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 126726-63-4 2-[2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane 
• 136835-38-6 (E)-2-(3-chloropropyl)-1-cyclopropanol 
• 530-62-1 1,1'-carbonyldiimidazole 
• 1224174-07-5 (S)-1-chlorohept-6-en-2-ol 

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 
• 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 
• 1425038-21-6 (S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-yn-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid tert-butylamine salt 
• 1425038-23-8 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 
• 1350514-68-9 grazoprevir 
• 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 

Relevant articles and documents

Process 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 from the intermediates. 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.

Novel quinoline-based P2-P4 macrocyclic derivatives as pan-genotypic HCV NS3/4a protease inhibitors

We have previously reported the discovery of our P2-P4 macrocyclic HCV NS3/4a protease inhibitor MK-5172, which in combination with the NS5a inhibitor MK-8742 recently received a breakthrough therapy designation from the US FDA for treatment of chronic HCV infection. Our goal for the next generation NS3/4a inhibitor was to achieve pan-genotypic activity while retaining the pharmacokinetic profile of MK-5172. One of the areas for follow-up investigation involved replacement of the quinoxaline moiety in MK-5172 with a quinoline and studying the effect of substitution at 4-position of the quinoline. The rationale for this effort was based on molecular modeling, which indicated that such modifications would improve interactions with the S2 subsite, in particular with D79. We wish to report herein the discovery of highly potent inhibitors with pan-genotypic activity and an improved profile over MK-5172, especially against gt-3a and A156 mutants.

CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR

The present invention relates to different forms of a HCV inhibitory compound.