1061567-28-9

Basic information

• Product Name: C₂₀H₂₀ClF₃N₄
• CAS NO: 1061567-28-9
• Molecular Weight: 408.854
• Mol File: 1061567-28-9.mol

Chemical Properties

• CAS DataBase Reference: C₂₀H₂₀ClF₃N₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₀H₂₀ClF₃N₄(1061567-28-9)
• EPA Substance Registry System: C₂₀H₂₀ClF₃N₄(1061567-28-9)

Safety Data

• Hazardous Substances Data: 1061567-28-9(Hazardous Substances Data)

Upstream product

• 64-18-6 formic acid 
• 1048380-02-4 C₁₉H₂₂ClF₃N₄ 

Relevant articles and documents

Synthesis, binding properties and receptor docking of 4-halo-6-[2-(4-arylpiperazin-1-yl)ethyl]-1H-benzimidazoles, mixed ligands of D2 and 5-HT1A receptors

In this publication we are describing synthesis, binding properties, and receptor docking of 4-halo-6-[2-(4-arylpiperazin-1-yl)ethyl]-1H-benzimidazoles, a new compounds with potential antipsychotics properties. Affinity towards the dopamine D1-like and D2-like, and serotonin 5-HT1A receptors was evaluated using the radioligand binding assays. All compounds tested had affinity for the D2-like and 5-HT1A receptors, but were inactive towards the D1-like receptor. Halogenated 6-[2-(4-arylpiperazin-1-yl)ethyl]-1H-benzimidazoles showed higher affinity compared to their nonhalogenated congeners. In silico docking analysis of selected ligands was performed in order to explain the results of binding assays. Our analysis suggests that stabilizing interactions between the halogen atom at the benzimidazole ring and the Ser-122 of the D2-like and Trp-358 of the 5-HT1A receptor. Energy contributions for these interactions were calculated using the ab initio method.