2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide

Base Information

Chemical Name: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:502.729
Hs Code.:
European Community (EC) Number:611-358-8
DSSTox Substance ID:DTXSID401111183
Nikkaji Number:J2.296.050D
Pharos Ligand ID:BSTWSML3FGQL
ChEMBL ID:CHEMBL3890942

Synonyms:(2-(4-(2-benzimidazol-2ylthio)ethyl)piperazin-1yl)-N-(2,4-bis(methylthio)-6-methyl-3-pyridyl)acetamide;2-(4-(2-(benzimidazol-2- ylthio)ethyl)piperazin-1-yl)-N-(2,4- bis(methylthio)-6-methyl-3-pyridyl)acetamide;2-(4-(2-(benzimidazol-2-ylthio)ethyl)piperazin-1-yl)-N-(2,4-bis(methylthio)-6-methyl-3-pyridyl)acetamide;K-604;K604 compound

Suppliers and Price of 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:502.16432312
Heavy Atom Count:33
Complexity:623

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC
Recent ClinicalTrials:A Trial of the Safety and Efficacy of K-604 for the Treatment of Atherosclerosis

Technology Process of 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide

There total 10 articles about 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide 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: 96.4%

: 664340-58-3
2-(4-(2-hydroxyethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide

: 134469-07-1
Benzimidazol-2-thiol

: 561023-90-3
2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In DMF (N,N-dimethyl-formamide); toluene; at 0 - 20 ℃; for 3h;

Reference yield: 88.0%

: 217096-06-5
N-[2,4-bis(methylthio)-6-methylpyridin-3-yl]-2-bromoacetamide

: 2-((2-(piperazin-1-yl)ethyl)thio)-1H-benzo[d]imidazole trihydrochloride

: 561023-90-3
2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide

Guidance literature:: 2-((2-(piperazin-1-yl)ethyl)thio)-1H-benzo[d]imidazole trihydrochloride; With potassium carbonate; In water; acetonitrile; at 20 ℃; for 2.5h;

N-[2,4-bis(methylthio)-6-methylpyridin-3-yl]-2-bromoacetamide; In water; acetonitrile; at 20 ℃; for 2.5h;

Reference yield: 51.0%

: 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

: 561023-90-3
2-[4-[2-(benzimidazol-2-ylthio)ethyl]piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3-pyridyl]acetamide

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In dimethylformamide [DMF]; at 20 ℃; for 1.08333h; Product distribution / selectivity;