PLpro inhibitor

Base Information

• Chemical Name: PLpro inhibitor
• CAS No.: 1093070-14-4
• Molecular Formula: C₂₂H₂₂N₂O₂
• Molecular Weight: 346.429
• Mol file: 1093070-14-4.mol

Synonyms:5-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide

Chemical Property of PLpro inhibitor

Chemical Property:

• Boiling Point: 584.7±50.0 °C(Predicted)
• PKA: 14.13±0.46(Predicted)
• Density: 1.189±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Plpro-IN-6 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PLpro inhibitor

There total 2 articles about PLpro inhibitor which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.0%

5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (1093070-16-6) + acetic anhydride (108-24-7) → 5-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide (1093070-14-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 23 ℃;

DOI:10.1021/jm900611t

Reference yield:

2-methyl-5-nitro-N-[(R)-1-(1-naphthyl)ethyl]benzamide (1093070-15-5) → 5-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide (1093070-14-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / 5%-palladium/activated carbon / ethyl acetate; methanol / 15 h / 23 °C

2: triethylamine / dichloromethane / 18 h / 0 - 23 °C

With hydrogen; triethylamine; 5%-palladium/activated carbon; In methanol; dichloromethane; ethyl acetate;

upstream raw materials:

5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

acetic anhydride

2-methyl-5-nitro-N-[(R)-1-(1-naphthyl)ethyl]benzamide

Refernces

• 1、 Ghosh, Arun K.,Takayama, Jun,Aubin, Yoann,Ratia, Kiira,Chaudhuri, Rima,Baez, Yahira,Sleeman, Katrina,Coughlin, Melissa,Nichols, Daniel B.,Mulhearn, Debbie C.,Prabhakar, Bellur S.,Baker, Susan C.,Johnson, Michael E.,Mesecar, Andrew D.. "Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome - Coronavirus papain-like protease". experimental part. p. 5228 - 5240. Retrieved 2010/03/04.