Mgb-BP-3
Names and Identifiers of Mgb-BP-3
CAS Number |
1000277-08-6 |
|---|---|
IUPAC Name |
1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide |
InChI |
InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+ |
InChIKey |
OEKXCVYZBVOWBR-BQYQJAHWSA-N |
Canonical SMILES |
CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)C=CC5=CC6=CC=CC=C6N=C5 |
Isomeric SMILES |
CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)/C=C/C5=CC6=CC=CC=C6N=C5 |
UNII |
532PWU9738 |
Physical and chemical properties of Mgb-BP-3
Boiling Point |
770.2±60.0 °C at 760 mmHg |
|---|---|
Density |
1.3±0.1 g/cm3 |
Exact Mass |
631.290710 |
Flash Point |
419.6±32.9 °C |
Index of Refraction |
1.664 |
LogP |
2.44 |
Molecular Formula |
C36H37N7O4 |
Molecular Weight |
631.724 |
Vapour Pressure |
0.0±2.6 mmHg at 25°C |
Applications of Mgb-BP-3
Mgb-BP-3 is primarily investigated for its application as an antibacterial agent in clinical settings. Its unique mechanism allows it to target resistant bacterial strains effectively, making it a candidate for treating infections that do not respond to conventional antibiotics. Additionally, due to its ability to bind DNA, there is potential for research into its use in cancer therapy or as a tool in molecular biology for manipulating genetic material.
Interaction Studies of Mgb-BP-3
Interaction studies have shown that Mgb-BP-3 not only binds effectively to bacterial DNA but also interacts with various proteins involved in DNA metabolism. These interactions can lead to altered activity of enzymes like DNA polymerases and helicases, further contributing to its antibacterial efficacy. Studies utilizing biophysical techniques such as surface plasmon resonance and nuclear magnetic resonance spectroscopy have provided insights into the binding affinities and kinetics between Mgb-BP-3 and its biological targets.
Biological Activity of Mgb-BP-3
The biological activity of Mgb-BP-3 has been extensively studied, demonstrating significant antibacterial effects against various strains of Gram-positive bacteria, including resistant strains. Its mechanism involves the inhibition of bacterial growth through disruption of nucleic acid synthesis. In preclinical studies, Mgb-BP-3 has shown promising results in reducing bacterial load in infected models, highlighting its potential as a therapeutic agent against antibiotic-resistant infections.