Discovery and optimization of efficacious neutral 4-amino-6-biphenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one diacylglycerol acyl transferase-1 (DGAT1) inhibitors was written by Goldberg, Frederick W.;Birch, Alan M.;Leach, Andrew G.;Groombridge, Sam D.;Snelson, Wendy L.;Gutierrez, Pablo Morentin;Hammond, Clare D.;Birtles, Susan;Buckett, Linda K.. And the article was included in MedChemComm in 2013.Computed Properties of C9H9ClO3 This article mentions the following:
A series of neutral DGAT1 inhibitors with good potency and pharmacokinetics (PK) has been designed by modification of an acidic startpoint. This was achieved by selecting the acid with the highest ligand lipophilicity efficiency (LLE) and replacing the acid with neutral isosteres. PK properties (Fabs) were then improved by removing the sidechain to reduce mol. weight and polar surface area (PSA). Compound 13 has shown good cross-species PK, with pre-clin. efficacy and PK/PD relationships comparable to those previously described for acidic inhibitors. In the experiment, the researchers used many compounds, for example, Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5Computed Properties of C9H9ClO3).
Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C9H9ClO3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics