Hosadurga, K. Keerthy published the artcileSynthesis and characterization of novel 2-amino-chromene-nitriles that target Bcl-2 in acute myeloid leukemia cell lines, SDS of cas: 79047-41-9, the publication is PLoS One (2014), 9(9), e107118/1-e107118/11, 11 pp., database is CAplus and MEDLINE.
The anti-apoptotic protein Bcl-2 is a well-known and attractive therapeutic target for cancer. In the present study the solution-phase T3P-DMSO mediated efficient synthesis of 2-amino-chromene-3-carbonitriles I (R1 = 3-O2NC6H4, 4-BrC6H4, 1H-indol-3-yl, etc.) from alcs., malanonitrile and 2-naphthalenol is reported. Addnl. chromenecarbonitriles from resorcinol and 4-hydroxy-2-chromenones were also reported. These novel 2-amino-chromene-3-carbonitriles showed cytotoxicity in human acute myeloid leukemia (AML) cell lines. Compound I (R1 = 2,6-Cl2C6H3) was found to be the most bioactive, decreasing growth and increasing apoptosis of AML cells and moreover, it (at a concentration of 5 μM) increased the G2/M and sub-G1 (apoptosis) phases of AML cells and when the AML cells were treated with this compound it exhibited decreased levels of Bcl-2 and increased levels of caspase-9. In silico mol. interaction anal. showed that this compound shared a similar global binding motif with navitoclax (another small mol. that binds Bcl-2), however it occupies a smaller volume within the P2 hot spot of Bcl-2. The intermol. π-stacking interaction, direct electrostatic interactions, and docking energy predicted for I (R1 = 2,6-Cl2C6H3) in complex with Bcl-2 suggest a strong affinity of the complex, rendering it as a promising Bcl-2 inhibitor for evaluation as a new anticancer agent.
PLoS One published new progress about 79047-41-9. 79047-41-9 belongs to imidazoles-derivatives, auxiliary class Imidazole,Chloride,Alcohol, name is (2-Butyl-4-chloro-1H-imidazol-5-yl)methanol, and the molecular formula is C8H13ClN2O, SDS of cas: 79047-41-9.
Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem