Gangireddy, Madhu Sudhana Reddy; Mantipally, Manohar; Badavath, Vishnu Nayak; Maddipati, Venkatanarayana Chowdary; Paidikondala, Kalyani; Katari, Naresh Kumar; Gundla, Rambabu published the artcile< Design, synthesis and molecular docking of piperidin-4-amine linked pyrimidine derivatives as potent anticancer agents>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is aminopiperidinyl hydroxycyclohexylamino pyrimidine carboxamide preparation cytotoxicity antitumor SAR docking.
A series of rationally designed novel hybrid piperidin-4-amine linked pyrimidine derivatives I [R = n-propylamino, cyclobutylamino, phenylethylamino, etc.] were synthesized. Compound I [R = 3,4-dimethoxyphenylethylamino] was found to be most potent with (IC50 = 1.92μM, 60.94% inhibition), while I [R = 4-pyridylethylamino] (IC50 of 5.2μM, 66.45% inhibition), the second most potent among all, against HepG2 human liver cancer cell lines. Compounds I [R = 4-pyridylethylamino, 4-fluorophenylmethylamino] exhibited excellent inhibition percentages of 66.45 and 68.76 resp., compared to pos. control Paclitaxel (62.12%). In-silico target hunting for the potent compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] revealed two possible targets, one was binding with human estrogen receptor and other one was inhibiting tubulin polymerization The mol. docking studies suggested that compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] with hydrophobic group linked by an alkyl chain may facilitate free access in the Helix 12 domain (in determining potency plays a crucial role) in the human estrogen receptor’s active and also inhibiting the tubulin polymerase by binding site at α/β-tubuline interface at colchicine binding site.
Chemical Data Collections published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.