402958-96-7

Basic information

• Product Name: (S)-2-((S)-2-CYCLOHEXYL-2-[(PYRAZINE-2-CARBONYL)-AMINO]-ACETYLAMINO)-3,3-DIMETHYL-BUTYRIC ACID
• Synonyms: (2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valine;L-Valine,(2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-;Telaprevir InterMediate -3;(2S)-2-Cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-Methyl-L-valine;(S)-2-[(S)-2-Cyclohexyl-2-[(pyrazinyl-2-carbonyl)aMino]acetylaMino]-3,3-diMethylbutyric Acid;(S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxaMido)acetaMido) -3,3-diMethylbutanoic acid;L-Valine, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-Methyl-;Telaprevir INT1
• CAS NO: 402958-96-7
• Molecular Formula: C₁₉H₂₈N₄O₄
• Molecular Weight: 376.454
• Product Categories: Amino Acids & Derivatives;Aromatics;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 402958-96-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 677.6±55.0 °C(Predicted)
• Appearance: /
• Density: 1.201
• Storage Temp.: 2-8°C
• PKA: 3.31±0.10(Predicted)
• CAS DataBase Reference: (S)-2-((S)-2-CYCLOHEXYL-2-[(PYRAZINE-2-CARBONYL)-AMINO]-ACETYLAMINO)-3,3-DIMETHYL-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-((S)-2-CYCLOHEXYL-2-[(PYRAZINE-2-CARBONYL)-AMINO]-ACETYLAMINO)-3,3-DIMETHYL-BUTYRIC ACID(402958-96-7)
• EPA Substance Registry System: (S)-2-((S)-2-CYCLOHEXYL-2-[(PYRAZINE-2-CARBONYL)-AMINO]-ACETYLAMINO)-3,3-DIMETHYL-BUTYRIC ACID(402958-96-7)

Safety Data

• Hazardous Substances Data: 402958-96-7(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 402958-96-7 differently. You can refer to the following data:
1. (2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-L-valine is a reagent used in the preparation of hepatitis C virus (HCV) protease inhibitors.
2. A reagent used in the preparation of hepatitis C virus (HCV) protease inhibitors.

InChI:InChI=1S/C19H28N4O4/c1-19(2,3)15(18(26)27)23-17(25)14(12-7-5-4-6-8-12)22-16(24)13-11-20-9-10-21-13/h9-12,14-15H,4-8H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t14-,15+/m0/s1

Upstream product

• 402958-95-6 (S)-methyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate 
• 98-97-5 2-pyrazylcarboxylic acid 
• 63038-27-7 L-tert-leucine methyl ester hydrochloride 
• 109183-71-3 N-(tert-butoxycarbonyl)-L-cyclohexylglycine 
• 402958-93-4 (S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyric acid methyl ester 
• 145618-11-7 (S)-amino(cyclohexyl)acetic acid methyl ester 
• 848777-30-0 (2S)-cyclohexyl[(pyrazin-2-ylcarbonyl)amino]ethanoic acid 
• 848777-29-7 (S)-methyl 2-cyclohexyl-2-(pyrazine-2-carboxamido)acetate 
• 1454838-80-2 L-α-cyclohexylglycine potassium salt 
• 14328-51-9 (2S)-amino(cyclohexyl)ethanoic acid 

Downstream Products

• 402958-98-9 (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid 
• 402958-99-0 (1S,3aR,6aS)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid [1-(cyclopropylcarbamoyl-hydroxy-methyl)-butyl]-amide 
• 1033882-02-8 (S)-tert-butyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3-phenylpropanoate 
• 1033881-19-4 (1R,2S)-methyl 2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanamido)cyclopentanecarboxylate 
• 1033882-08-4 (S)-methyl 3-cyclohexyl-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)propanoate 
• 1033881-27-4 (1R,2S)-methyl 2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanamido)cyclohexanecarboxylate 
• 1033880-38-4 C₃₃H₅₂N₆O₇ 
• 1033881-83-2 (3R,4R)-tert-butyl 3-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanamido)-4-((3S)-1-(2-((S)-2-(dimethylamino)-2-oxo-1-phenylethylamino)-2-oxoethylamino)-2-hydroxy-1-oxohexan-3-ylcarbamoyl)pyrrolidine-1-carboxylate 
• 1033882-22-2 (S)-tert-butyl 5-amino-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-5-oxopentanoate 
• 1033882-29-9 (R)-methyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate 
• 954369-32-5 (R)-1-(4-chloro-benzyl)-4-((S)-2-{(S)-2-cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-piperazine-2-carboxylic acid methyl ester 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF A VIRAL PROTEASE INHIBITOR

Process for the preparation of intermediates useful in the synthesis of the viral protease inhibitor Telaprevir. The claimed process involves reacting formula (IV) with a formula (III) compound using DMMTM as coupling reagent to get a formula (II) compoun

A PROCESS FOR THE PREPARATION OF SUBSTITUTED PROLYL PEPTIDES AND SIMILAR PEPTIDOMIMETICS

The present invention relates to a process for the stereoselective preparation of a compound having the general formula (I) or its respective diastereomers: comprising reacting a compound having the general formula (II) or its diastereomers: with a compound of the general formula III: R3-COOH and a compound of the general formula IV: R4-NC wherein R1 represents each independently, or jointly a substituted or unsubstituted alkyl, alkenyl, alkynyl, aromatic or non-aromatic, mono-, di- or tricyclic, or heterocyclic structure, and R2 represents a hydrogen atom, a substituted or unsubstituted alkyl, alkenyl, alkynyl, aromatic or non-aromatic, mono-, di- or tricyclic, or heterocyclic structure, and R3 represents a substituted or unsubstituted alkyl, alkenyl, or alkynyl, or an aromatic or non-aromatic aromatic or non-aromatic, mono-, di- or tricyclic, or heterocyclic structure.

HCV PROTEASE INHIBITORS AND USES THEREOF

This invention relates to: (a) compounds of formula I and salts thereof that, inter alia, are useful as hepatitis C virus (HCV) inhibitors; (b) intermediates useful for the preparation of such compounds and salts; (c) pharmaceutical compositions comprising such compounds and salts; and (d) methods of use of such compounds, salts, and compositions.