1548515-04-3

Basic information

• Product Name: C₁₃H₁₈Cl₂N₂O
• Synonyms: C₁₃H₁₈Cl₂N₂O
• CAS NO: 1548515-04-3
• Molecular Weight: 289.205
• Mol File: 1548515-04-3.mol

Chemical Properties

• CAS DataBase Reference: C₁₃H₁₈Cl₂N₂O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₁₈Cl₂N₂O(1548515-04-3)
• EPA Substance Registry System: C₁₃H₁₈Cl₂N₂O(1548515-04-3)

Safety Data

• Hazardous Substances Data: 1548515-04-3(Hazardous Substances Data)

Upstream product

• 31399-32-3 3-(3,4-dichlorophenylamino)propanoic acid 
• 75-64-9 tert-butylamine 
• 95-76-1 m,p-dichloroaniline 

Downstream Products

• 1548515-28-1 N-tert-butyl-3-(3,4-dichlorophenyl)(4-fluorobenzyl)aminopropanamide 

Relevant articles and documents

Design, synthesis and biological evaluation of N,N-3-phenyl-3-benzylaminopropanamide derivatives as novel cholesteryl ester transfer protein inhibitor

A series of N,N-3-phenyl-3-benzylaminopropanamide derivatives were identified as novel CETP (cholesteryl ester transfer protein) inhibitors. In our previous study, lead compound L10 was discovered by pharmacophore-based virtual screening (Dong-Mei Zhao et al., 2014). Based on L10 (IC50 8.06 μM), compound HL6 (IC50 10.7 μM) was discovered following systematic structure variation and biological tests. Further optimization of the structure-activity relationship (SAR) resulted in N,N-3-phenyl-3-benzylaminopro panamides derivatives as novel CETP inhibitors. They were synthesized and evaluated against CETP by BODIPY-CE fluorescence assay. Among them, HL16 (IC50 0.69 μM) was a highly potent CETP inhibitor in vitro. In addition, HL16 exhibited favorable HDL-C enhancement and LDL-C reduction in vivo by hamster. The molecular docking of HL16 into the CETP was performed. The binding mode demonstrated that HL16 occupied the CETP binding site and formed interactions with the key amino acid residues.

Pharmacophore-based design, synthesis, and biological evaluation of novel 3-((3,4-dichlorophenyl)(4-substituted benzyl)amino) propanamides as cholesteryl ester transfer protein (CETP) inhibitors

Cholesteryl ester transfer protein (CETP) is a plasma glycoprotein that plays an important role in decreasing high-density lipoprotein cholesterol (HDL-C) levels and increasing low-density lipoprotein cholesterol (LDL-C) levels. Inhibition of CETP may be a new therapy for treating atherosclerosis. Herein, we report the development of a ligand-based pharmacophore model and pharmacophore-based virtual screening of the ZINC/big-n-greasy database, leading to the identification of compound H-10 as a potential CETP inhibitor in vitro. Based on H-10, a series of 3-((3,4-dichlorophenyl)(4-substituted benzyl)amino) propanamides were designed, synthesized, and evaluated against CETP. Compound 4l was found to have the best activity, resulting in 85.0% inhibition of CETP at 10 μmol/L.