Synthesis, structure and molecular docking analysis of an anticancer drug of N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide

doi:10.1080/15421406.2019.1624051

Paper

Synthesis, structure and molecular docking analysis of an anticancer drug of N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide

Published Nov 2, 2018 · G. Sharma, S. Anthal, D. V. Geetha

Molecular Crystals and Liquid Crystals

Q4 SJR score

11

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Abstract

Abstract N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide(3) has been synthesized in good yield by stirring compound ethyl 2-(2-isopropylphenoxy) acetic acid(1), with, 2-diaminobenzene (2), in dry dichloromethane followed by the addition of lutidine, and TBTU in cooled condition. The crude product (3) was recrystallized and elucidated by elemental analyses and spectroscopic techniques (HNMR, LC-MS). The anticancer activity was confirmed by in silico modeling study which targets the VEGFr receptor. The compound crystallizes in the orthorhombic crystal system with space group Pbca with unit cell parameters: a = 7.4250 (4) Å, b = 14.9753 (7) Å, c = 27.5656 (14) Å and Z = 4. The crystal structure has been solved by using direct methods and refined by full matrix least-squares procédures to a final R-factor of 0.042 for 2158 observed reflections. The structure exhibits intermolecular H-bonds of the type N–H⋅⋅⋅O. In addition, two intramolecular interactions N1-H1…O2 and N2-H2B…N1 were also observed.

Study Snapshot

N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide shows promising anticancer activity and crystallizes in the orthorhombic crystal system with VEGFr receptor targeting.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

Synthesis, structure and molecular docking analysis of an anticancer drug of N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide

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