《Highly Potent and Selective N-Aryl Oxamic Acid-Based Inhibitors for Mycobacterium tuberculosis Protein Tyrosine Phosphatase B》 was written by Ruddraraju, Kasi Viswanatharaju; Aggarwal, Devesh; Niu, Congwei; Baker, Erica Anne; Zhang, Ruo-yu; Wu, Li; Zhang, Zhong-Yin. Formula: C3H3ClO3This research focused ontuberculosis Mycobacterium tuberculosis mPTPB SAR mol docking metabolic stability. The article conveys some information:
Tuberculosis is an infectious disease caused by the bacterium Mycobacterium tuberculosis (Mtb). Mtb protein tyrosine phosphatase B (mPTPB) is a virulence factor required for Mtb survival in host macrophages. Consequently, mPTPB represents an exciting target for tuberculosis treatment. Here, we identified N-Ph oxamic acid as a highly potent and selective monoacid-based phosphotyrosine mimetic for mPTPB inhibition. SAR studies on the initial hit, compound 4 (IC50 = 257 nM), resulted in several highly potent inhibitors with IC50 values lower than 20 nM for mPTPB. Among them, compound 4t(I) showed a Ki of 2.7 nM for mPTPB with over 4500-fold preference over 25 mammalian PTPs. Kinetic, mol. docking, and site-directed mutagenesis analyses confirmed these compounds as active site-directed reversible inhibitors of mPTPB. These inhibitors can reverse the altered host cell immune responses induced by the bacterial phosphatase. Furthermore, the inhibitors possess mol. weights <400 Da, log D7.4 < 2.5, topol. polar surface area < 75, ligand efficiency > 0.43, and good aqueous solubility and metabolic stability, thus offering excellent starting points for further therapeutic development. After reading the article, we found that the author used Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3Formula: C3H3ClO3)
Methyl 2-chloro-2-oxoacetate(cas: 5781-53-3) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Formula: C3H3ClO3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics