Mabrouk, Mai S. et al. published their research in International Journal of Bioinformatics Research and Applications in 2012 | CAS: 219580-11-7

1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea (cas: 219580-11-7) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Formula: C28H41N7O3

Discovering best candidates for hepatocellular carcinoma (HCC) by in-silico techniques and tools was written by Mabrouk, Mai S.. And the article was included in International Journal of Bioinformatics Research and Applications in 2012.Formula: C28H41N7O3 The following contents are mentioned in the article:

Protein-Ligand interaction plays an important role in structural-based drug designing. The aim of this work is to select new possible candidates for HCC by in-silico drug design using bioinformatics techniques and tool. Essential proteins were targeted for HCC metastasis; drugs were designed for them by using ligand-based drug design based on active model drugs. The study considered BCL-XL and FGF proteins and the com. available drugs against HCC. The receptor was docked to those drugs and the energy values were obtained using the Mol. Operating Environment (MOE) docking software. According to the obtained energy values, we have chosen the best drugs. Also, the aim was to improve the binding efficiency and steric compatibility of the obtained drug by improving the Absorption Distribution Metabolism Excretion Toxicity (ADMET) properties of the analogs using available in-silico ADMET tools. The results of mol. docking identified 10 candidates for FGF and 17 candidates for BCL-XL. After the ADMET studies, these candidates are reduced to only 2 best candidates for FGF and 1 best candidate for BCL-XL. This study involved multiple reactions and reactants, such as 1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea (cas: 219580-11-7Formula: C28H41N7O3).

1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea (cas: 219580-11-7) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Formula: C28H41N7O3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia