561023-90-3

Basic information

• Product Name: 2-{4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
• Synonyms: 1-piperazineacetamide, 4-[2-(1H-benzimidazol-2-ylthio)ethyl]-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-; 2-{4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
• CAS NO: 561023-90-3
• Molecular Formula: C₂₃H₃₀N₆OS₃
• Molecular Weight: 502.7189
• Mol File: 561023-90-3.mol
• Article Data: 5

Chemical Properties

• Density: 1.371g/cm³
• Refractive Index: 1.708
• CAS DataBase Reference: 2-{4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide(561023-90-3)
• EPA Substance Registry System: 2-{4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl}-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide(561023-90-3)

Safety Data

• Hazardous Substances Data: 561023-90-3(Hazardous Substances Data)

Upstream product

• 217096-06-5 N-[2,4-bis(methylthio)-6-methylpyridin-3-yl]-2-bromoacetamide 
• 664340-58-3 2-(4-(2-hydroxyethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide 
• 134991-79-0 3-amino-2,4-bis(methylthio)-6-methyl-pyridine 
• 217095-58-4 1-[2-(BENZIMIDAZOL-2-YL-THIO)ETHYL]PIPERAZINE 
• 873205-89-1 N-[2,4-bis(methylthio)-6-methylpyridin-3-yl]-2-hydroxyacetamide 
• 134469-07-1 Benzimidazol-2-thiol 

Relevant articles and documents

Discovery of Clinical Candidate 2-(4-(2-((1 H-Benzo[ d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)- N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide Hydrochloride [K-604], an Aqueous-Soluble Acyl-CoA:Cholesterol O-Acyltransferase-1 Inhibitor

2-(4-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide hydrochloride (K-604, 2) has been identified as an aqueous-soluble potent inhibitor of human acyl-coenzyme A:cholesterol O-acyltransferase

METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF

The present invention is directed to a method for producing a cyclic diamine compound (3) or a salt thereof through the following scheme: (wherein Ar represents a phenyl group, a pyridyl group, or a pyrimidinyl group, any of which may have a substituent; X represents NH, S, or O; ring A represents a benzene ring or a pyridine ring, which may have a substituent; 1 represents an integer of 1 or 2; m represents an integer of 1 or 2; and n represents an integer of 1 to 6). The method enables synthesis of a cyclic diamine compound (3) or a salt thereof, which serves as an ACAT inhibitor, in an industrially useful manner.

Hydroxyalkyl cyclic diamine compound

The present invention is directed to a compound represented by the following formula (1) and to a process for producing a compound (5) from the compound (1). By use of the compound (1) of the present invention, a variety of cyclic diamine derivatives (5) or salts thereof, useful as drugs, can be produced in an industrially advantageous manner with a constant yield.