ChemicalBook Product Catalog Biochemical Engineering Inhibitors Cell Cycle Aurora Kinase Inhibitors Ethyl 8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylate

Ethyl 8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylate

Product NameEthyl 8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carboxylate
CAS869363-13-3
MFC25H15ClF2N4O2
MW476.86
EINECS1592732-453-0
MOL File869363-13-3.mol

Chemical Properties

Boiling point	694.9±65.0 °C(Predicted)
Density	1.48
storage temp.	Store at -20°C
solubility	insoluble in EtOH; insoluble in H2O; ≥39.05 mg/mL in DMSO
form	Powder
pka	4.18±0.10(Predicted)
color	White to yellow
CAS DataBase Reference	869363-13-3

Usage And Synthesis

Uses

MLN 8054 is an Aurora kinase inhibitor, used to treat patients with advanced solid tumors.

Definition

ChEBI: 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid is a benzazepine.

Biological Activity

mln8054 is a potent of aurora a kinase (aak) inhibitor consisting of a benzazepine core scaffold with a fused amino pyrimidine and an aryl carboxylic acid which represents an unprecedented kinase inhibitor framework. the inhibition of mln8054 towards aak is atp-competitive, reversible and selective with an ic50 value of 4nm, which is more than 40-fold and 100-fold selective comparing to aurora b kinase (ic50 = 175 nm) and a range of other kinases respectively. mln8054 exerts antitumor activity against human tumor xenografts through aak inhibition, which results in deactivation of pt288, spindle defects, accumulation of g2/m, and apoptosis-induced cell death in tumor cells.mark g. manfredi, jeffery a. ecsedy, kristan a. meetze, suresh k. balani, olga burenkova. wei chen, katherine m. galvin, kara m. hoar, jessica j. huck, patrick j. leroy, emily t. ray, todd b. sells, bradley stringer, stephen g. stroud, tricia j. vos, gabriel s. weatherhead, deborah r. wysong, mengkun zhang, joseph b. bolen, and christopher f. claiborne. antitumor activity of mln8054, an orally active small-molecule inhibitor of aurora a kinase. pnas 2007; 104(10): 4106-4111

in vivo

In the HCT-116 tumor-bearing mice, MLN8054 treatment inhibits tumor growth dose dependently. MLN8054 is generally well tolerated. MLN8054 also inhibits the growth of the PC-3 tumor xenograft in nude mice. MLN8054 Treatment Results in Inhibition of Aurora A, Accumulation of Mitotic Cells, and Apoptosisin vivo^[1]. MLN8054 selectively inhibits Aurora A kinase activity when dosed at 30 mg/kg. At this dose in HCT116 tumor tissue, MLN8054 has been shown to inhibit Aurora A autophosphorylation, and induce an increase in the Aurora B substrate, pHisH3^[2].

target

Aurora A

IC 50

Aurora A: 4 nM (IC₅₀)

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