Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 1719-19-3, Name is 2-Methyl-4-phenylbut-3-yn-2-ol, molecular formula is C11H12O, belongs to isothiazole compound, is a common compound. In a patnet, author is Pasha, F. A., once mentioned the new application about 1719-19-3, Application In Synthesis of 2-Methyl-4-phenylbut-3-yn-2-ol.
Isothiazole carboxamidine compounds are potent ATP competitive Chk2 inhibitors. A series of compounds with Chk2 inhibitory activity were taken from literature and different 3D-QSAR models have been generated with Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (COMSIA). In first scheme LB-QSAR models were generated using fully optimized geometries by PM3 approach giving reasonable statistics of CoMFA (q(2)=0.88, r(2)=0.96 and r(predictive)(2) = 0.60) and CoMSIA(q(2)=0.918 r(2)=0.99 and r(predictive)(2) = 0.55). In second and third scheme the ligands 7 docked in to receptor protein (PDB 2CN8). Consequently, two most plausible modes were identified and used as initial templates. The docked conformer based CoMFA model shows good correlation with activity (q(2)=0.91, r2=0.99 and r(predictive)(2) =0.84). Whereas in CoMSIA, the steric and hydrophobic and donor field jointly give a better statistics (q(2)=0.92 r(2)=0.99 and r(predictive)(2) =0.53). These findings might be helpful to design more potent Chk2 inhibitors.
We’ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 1719-19-3. The above is the message from the blog manager. Application In Synthesis of 2-Methyl-4-phenylbut-3-yn-2-ol.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com