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HomeProduct name listETHYL 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

  • CAS NO.:869363-13-3
  • Empirical Formula: C25H15ClF2N4O2
  • Molecular Weight: 476.86
  • MDL number: MFCD11840561
  • EINECS: 1592732-453-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-07 13:31:19
ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE Structural

What is ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE?

The Uses of ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE

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

Properties of ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE

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

Safety information for ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE

Computed Descriptors for ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE

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