76098-89-0

Upstream product

• 85330-54-7 (1H-Benzoimidazol-2-yl)-(3-methoxy-phenyl)-methanol 
• 95-54-5 1,2-diamino-benzene 
• 51-17-2 benzoimidazole 
• 1711-05-3 m-anisoyl chloride 
• 65292-99-1 2-(3-methoxyphenyl)acetaldehyde 

Downstream Products

• 76099-08-6 C₁₈H₁₆N₂O₃ 
• 702689-10-9 C₁₉H₁₈N₂O₂ 

Relevant academic research and scientific papers

Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed: De novo design model

The SARS-CoV-2 main viral protease (Mpro) is an attractive target for antivirals given its distinctiveness from host proteases, essentiality in the viral life cycle and conservation across coronaviridae. We launched the COVID Moonshot initiative to rapidly develop patent-free antivirals with open science and open data. Here we report the use of machine learning for de novo design, coupled with synthesis route prediction, in our campaign. We discover novel chemical scaffolds active in biochemical and live virus assays, synthesized with model generated routes. This journal is

Selective synthesis of (1: H-benzo [d] imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine

We have designed a general, inexpensive, and versatile method for the synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and the formation of C-N bonds via an aromatic aldehyde and o-phenylenediamine. In the presence of N,N-dimethylformamide/sulfur, (1H-benzo[d]imidazol-2-yl)(phenyl)methanone was obtained; however, in the absence of sulfur, quinoxaline was obtained in 1,4-dioxane. A wide range of quinoxalines and (1H-benzo[d]imidazol-2-yl)(phenyl)methanones was obtained under mild conditions.

NOVEL HETEROARYL DERIVATIVE

A heteroaryl derivative of the formula (1): (wherein Ring Z is an optionally substituted heteroaryl, R1 is a carboxyl group or an alkoxycarbonyl group, etc., W1 and W2 are an optionally substituted lower alkylene, Ar1 is an optionally substituted arylene or an optionally substituted heteroarylene, W3 is a single bond, a lower alkylene, a lower alkenylene, etc., W4 is a single bond, -NR10-, etc., Ar2 is an optionally substituted aryl or an optionally substituted heteroaryl), or a prodrug thereof, or a pharmaceutically acceptable salt thereof.

Synthesis and pharmacological properties of analogs of oxapadol, a new analgesic agent

A series of various heterocyclic compounds related to Oxapadol was prepared and evaluated for analgesic activity in mice. Some of them possessed significant analgesic effects; their structure activity relationships and chemistry are discussed. These compounds represent, in the authors' opinion, a unique series of analgesic agents.