Cell-Based Drug Discovery: Identification and Optimization of Small Molecules that Reduce c-MYC Protein Levels in Cells was written by Medina, Jesus R.;Tian, Xinrong;Li, William H.;Suarez, Dominic;Mack, James F.;LaFrance, Louis;Martyr, Cuthbert;Brackley, James;Di Marco, Christina;Rivero, Ralph;Heerding, Dirk A.;McHugh, Charles;Minthorn, Elisabeth;Bhaskar, Aishwarya;Rubin, Jacob;Butticello, Michael;Carpenter, Christopher;Nartey, Eldridge N.;Berrodin, Thomas J.;Kallal, Lorena A.;Mangatt, Biju. And the article was included in Journal of Medicinal Chemistry in 2021.Computed Properties of C3H9NO The following contents are mentioned in the article:
Elevated expression of the c-MYC oncogene is one of the most common abnormalities in human cancers. Unfortunately, efforts to identify pharmacol. inhibitors that directly target MYC have not yet yielded a drug-like mol. due to the lack of any known small mol. binding pocket in the protein, which could be exploited to disrupt MYC function. We have recently described a strategy to target MYC indirectly, where a screening effort designed to identify compounds that can rapidly decrease endogenous c-MYC protein levels in a MYC-amplified cell line led to the discovery of a compound series that phenocopies c-MYC knockdown by siRNA. Herein, we describe our medicinal chem. program that led to the discovery of potent, orally bioavailable c-MYC-reducing compounds The development of a min. pharmacophore model based on empirical structure activity relationship as well as the property-based approach used to modulate pharmacokinetics properties will be highlighted. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Computed Properties of C3H9NO).
2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Computed Properties of C3H9NO
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem