Molecular Formula | C18H14N2O3 |
Molar Mass | 306.32 |
Density | 1.416±0.06 g/cm3(Predicted) |
Melting Point | 215 °C |
Boling Point | 529.4±50.0 °C(Predicted) |
Solubility | DMSO : 25 mg/mL (81.61 mM; Need ultrasonic) |
pKa | 8.80±0.10(Predicted) |
Storage Condition | −20°C |
In vitro study | In the present study, the interaction between drug Tyrphostin AG528 and CNT(6,6-6) nanotube by Density Functional Theory (DFT) calculations in solvent water has been investigated for the first time. According to the calculations, intermolecular hydrogen bonds take place between an active position of the molecule Tyrphostin AG528 and hydrogen atoms of the nanotube which play an important role in the stability of complex CNT(6,6- 6)/Tyrphostin AG528. The non-bonded interaction effects of the molecule Tyrphostin AG528 with CNT(6,6-6) nanotube on the electronic properties, chemical shift tensors and natural charge have also been detected. The natural bond orbital (NBO) analysis suggested that the molecule Tyrphostin AG528 as an electron donor and the CNT(6,6-6) nanotube play the role of an electron acceptor at the complex CNT(6,6-6)/Tyrphostin AG528. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 3.265 ml | 16.323 ml | 32.646 ml |
5 mM | 0.653 ml | 3.265 ml | 6.529 ml |
10 mM | 0.326 ml | 1.632 ml | 3.265 ml |
5 mM | 0.065 ml | 0.326 ml | 0.653 ml |