In 2018,Molecules included an article by Naboulsi, Imane; Aboulmouhajir, Aziz; Kouisni, Lamfeddal; Bekkaoui, Faouzi; Yasri, Abdelaziz. Application of 213743-31-8. The article was titled 《Combining a QSAR approach and structural analysis to derive an SAR map of Lyn kinase inhibition》. The information in the text is summarized as follows:
Lyn kinase, a member of the Src family of protein tyrosine kinases, is mainly expressed by various hematopoietic cells, neural and adipose tissues. Abnormal Lyn kinase regulation causes various diseases such as cancers. Thus, Lyn represents, a potential target to develop new antitumor drugs. In the present study, using 176 mols. (123 training set mols. and 53 test set mols.) known by their inhibitory activities (IC50) against Lyn kinase, we constructed predictive models by linking their physico-chem. parameters (descriptors) to their biol. activity. The models were derived using two different methods: the generalized linear model (GLM) and the artificial neural network (ANN). The ANN Model provided the best prediction precisions with a Square Correlation coefficient R2 = 0.92 and a Root of the Mean Square Error RMSE = 0.29. It was able to extrapolate to the test set successfully (R2 = 0.91 and RMSE = 0.33). In a second step, we have analyzed the used descriptors within the models as well as the structural features of the mols. in the training set. This anal. resulted in a transparent and informative SAR map that can be very useful for medicinal chemists to design new Lyn kinase inhibitors. The experimental part of the paper was very detailed, including the reaction process of 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8Application of 213743-31-8)
7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8) belongs to pyrimidine. Pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Application of 213743-31-8
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia