1228552-27-9

Basic information

• Product Name: Methyl ((S)-1-((S)-2-(4-(4-broMophenyl)-1H-iMidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate
• Synonyms: Methyl ((S)-1-((S)-2-(4-(4-broMophenyl)-1H-iMidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate;methyl(R)-1-((R)-2-(2-(4-bromophenyl)-1H-imidazol-5-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate;((S)-1-{(S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl}-2-methylpropyl)carbamic acid methyl ester;methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate(WXG03506)
• CAS NO: 1228552-27-9
• Molecular Formula: C₂₀H₂₅BrN₄O₃
• Molecular Weight: 449.3415
• EINECS: -0
• Mol File: 1228552-27-9.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Methyl ((S)-1-((S)-2-(4-(4-broMophenyl)-1H-iMidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl ((S)-1-((S)-2-(4-(4-broMophenyl)-1H-iMidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate(1228552-27-9)
• EPA Substance Registry System: Methyl ((S)-1-((S)-2-(4-(4-broMophenyl)-1H-iMidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate(1228552-27-9)

Safety Data

• Hazardous Substances Data: 1228552-27-9(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
Methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate is used as a pharmaceutical intermediate for the synthesis of various drugs. Its complex structure and multiple functional groups allow for the creation of molecules with specific biological activities, making it a valuable component in the development of new therapeutic agents.
Used in Material Science:
In the field of material science, Methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate is used as a building block for the design of novel materials with tailored properties. Its unique structure can contribute to the development of materials with improved performance in areas such as electronics, optics, and catalysis.
Used in Research and Development:
Methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate serves as a key compound in academic and industrial research, where it is used to explore new chemical reactions, investigate the properties of complex molecules, and develop innovative applications in various industries.

Upstream product

• 1007882-04-3 (S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate 
• 1255936-24-3 (S)-5-(4-bromophenyl)-2-(pyrrolidin-2-yl)-1H-imidazole 
• 111398-44-8 N-methoxycarbonyl-L-valine 
• 1007881-98-2 y 
• 99-73-0 para-bromophenacyl bromide 
• 7644-04-4 4-bromophenacylamine 
• 1007882-04-3 (S)-2-[4-(4-bromo-phenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid tert-butyl ester 
• 128120-93-4 (S)-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromophenyl)-2-oxoethyl]ester 1-tert-butyl ester 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 1255936-24-3 4-(4-bromophenyl)-2-[(2S)-2-pyrrolidinyl]-1H-imidazole 
• 72-18-4 L-valine 
• 147-85-3 L-proline 
• 59936-29-7 (S)-N-(tert-butoxycarbonyl)proline methyl ester 
• 5467-72-1 α-amino-4-bromoacetophenone hydrochloride 

Downstream Products

• 1228553-33-0 [(S)-2-methyl-1-((S)-2-{5-[4-(4,4,5,5 tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester 
• 1228553-01-2 [(S)-1-((S)-2-{4-[2-(4-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-quinolin-6-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester 
• 1261072-22-3 methyl {(2S)-1-[(2S)-2-{5-[4-(2-chloroquinolin-6-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1261072-42-7 methyl {(2S)-1-[(2S)-2-{5-[4-(6-bromo-4-cyanoquinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1261072-48-3 methyl {(2S)-1-[(2S)-2-{4-[4-(7-hydroxyquinolin-3-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1228553-35-2 methyl {(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4-(2-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}quinolin-6-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl}carbamate 
• 1228553-37-4 methyl {(2S)-1-[(2S)-2-{5-[4-(2-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methyl-butanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-6-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1261071-70-8 methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1261070-45-4 methyl {(2S)-1-[(2S)-2-{5-[4-(4-cyano-6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}quinolin-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1228633-22-4 methyl {(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4-(6-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl}carbamate 
• 1261070-48-7 methyl {(2S)-1-[(2S)-2-{5-[4-(6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate 
• 1272656-19-5 1,1-dimethylethyl 2-{N-[(methyloxy)carbonyl]-L-valyl}-3-(4-{4′-[2-((2S)-1-{N-[(methyloxy)carbonyl]-L-valyl}-2-pyrrolidinyl)-1H-imidazol-4-yl]-4-biphenylyl}-1H-imidazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate 
• 1272656-21-9 1,1-dimethylethyl 2-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-3-(((2-(4'-(2-((2S)-1-((2S)-3-methyl-2-(((methyloxy)carbonyl)amino)butanoyl)-2-pyrrolidinyl)-1H-imidazol-4-yl)-4-biphenylyl)-2-oxoethyl)amino)carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxylate 
• 1272656-35-5 1,1-dimethylethyl 6-{N-[(methyloxy)carbonyl]-L-valyl}-7-(4-{4′-[2-((2S)-1-{N-[(methyloxy)carbonyl]-L-valyl}-2-pyrrolidinyl)-1H-imidazol-4-yl]-4-biphenylyl}-1H-imidazol-2-yl)-2,6-diazaspiro[3.4]octane-2-carboxylate 

Relevant articles and documents

The Discovery of Conformationally Constrained Bicyclic Peptidomimetics as Potent Hepatitis C NS5A Inhibitors

HCV NS5A inhibitors are the backbone of directly acting antiviral treatments against the hepatitis C virus (HCV). While these therapies are generally highly curative, they are less effective in some specific HCV patient populations. In the search for broader-acting HCV NS5A inhibitors that address these needs, we explored conformational restrictions imposed by the [7,5]-azabicyclic lactam moiety incorporated into daclatasvir (1) and related HCV NS5A inhibitors. Unexpectedly, compound 5 was identified as a potent HCV genotype 1a and 1b inhibitor. Molecular modeling of 5 bound to HCV genotype 1a suggested that the use of the conformationally restricted lactam moiety might have resulted in reorientation of its N-terminal carbamate to expose a new interaction with the NS5A pocket located between amino acids P97 and Y93, which was not easily accessible to 1. The results also suggest new chemistry directions that exploit the interactions with the P97-Y93 site toward new and potentially improved HCV NS5A inhibitors.

Daclatasvir hydrochloride impurity hydrochloride, preparation method and application thereof

The invention discloses daclatasvir hydrochloride impurity hydrochloride, a preparation method and application thereof, wherein the structure of the daclatasvir hydrochloride impurity is represented by a formula (I). The preparation method comprises the f

Monoglycosyl-containing heterocyclic compound for inhibiting hepatitis C viruses and preparation method

The invention discloses a monoglycosyl-containing heterocyclic compound for inhibiting hepatitis C viruses and a preparation method. The monoglycosyl-containing heterocyclic compound has a chemical structure represented by a formula I shown in the description. The monoglycosyl-containing heterocyclic compound disclosed by the invention can be used for effectively inhibiting protease of the hepatitis C viruses and treating infection of the hepatitis C viruses (HCV).

PROCESS FOR THE PREPARATION OF CARBAMIC ACID, N,N'-[[1,1'-BIPHENYL] -4,4'-DIYLBIS]- 1 H-IMIDAZOLE-5,2 DIYI-(2S)-2,1-PYRROLIDINEDIYL[(1 S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL]]] BIS-,C,C'-DIMETHYL ESTER AND ITS SALTS AND POLYMORPHS

The present invention relates to the process for the preparation of carbamic acid, N,N'-[[1,1'biphenyl]- 4,4'-diylbis[ I H-imidazole-5,2-diyl-(2S)-2, 1-pyrrolidinediyl[ (1S)-1-( 1-methylethyl)-2- oxo-2,1-ethanediyl]]]bis-,C,C'-dimethyl ester of formula (I

HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS

A series of hepatitis C virus (HCV) inhibitors and compositions and applications thereof in the preparation of drugs for treating chronic HCV infection. Especially, a series of compounds that are used as NS5A inhibitors, and compositions and uses thereof in the preparations of drugs.

As hepatitis c inhibitor spiro compound and its use in medicine

The invention provides a spiro compound serving as a hepatitis c inhibitor and application thereof in a medicine. The compound is a compound as shown in a formula (I) or a stereisomer, a geometric isomer, a tautomer, nitric oxide, an aquo-complex, a solvate, a metabolite, pharmaceutically acceptable salt or prodrug of the compound as shown in the formula (I). The invention also provides a pharmaceutical composition containing the compound, application of the compound and the pharmaceutical composition in inhibition of HCV (Hepatitis C Virus) copy and HCV virus protein, as well as the application of the compound and the pharmaceutical composition in prevention, handling, treatment or relieving of HCV infection or hepatitis c disease for a patient. The formula I is as shown in the specification.

Synthesis and evaluation of novel HCV replication inhibitors

Abstract: Direct acting antiviral agents to cure hepatitis C virus (HCV) infection has emerged as the gold standard therapy. Along with protease inhibitors, nucleoside polymerase inhibitors and non-nucleoside polymerase inhibitors, the inhibition of NS5a

NOVEL INHIBITORS OF HEPATITIS C VIRUS

The invention provides compounds of formula (I): wherein the variables are defined in the specification, or a pharmaceutically-acceptable salt thereof, that are inhibitors of replication of the hepatitis C virus. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat hepatitis C viral infections, and processes and intermediates useful for preparing such compounds.

SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS

Disclosed are spiro compounds of formula (I), or stereomers, geometric isomers, tautomers, nitrogen oxides, hydrates, solvates, metabolites, pharmaceutically acceptable salts or prodrugs thereof. The compounds can be used to treat hepatitis C virus (HCV) infection or hepatitis C disease. Furthermore disclosed are pharmaceutical compositions containing the compounds and the method of using the compounds or pharmaceutical compositions in the treatment of HCV infection or hepatitis C disease.

Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof

Provided herein is a compound having Formula (I), or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, which can be used for treating HCV infection or a HCV disorder. Also provided herein are pharmaceutical compositions comprising the compounds disclosed herein, which can be used for treating HCV infection or a HCV disorder.