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| | ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE Basic information |
| Product Name: | ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE | | Synonyms: | MLN8054; MLN 8054;;4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid;Benzoic acid, 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-;CS-410;ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE USP/EP/BP;MLN8054 | | CAS: | 869363-13-3 | | MF: | C25H15ClF2N4O2 | | MW: | 476.86 | | EINECS: | 1592732-453-0 | | Product Categories: | Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals;Inhibitor | | Mol File: | 869363-13-3.mol | ![ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE Structure](CAS/GIF/869363-13-3.gif) |
| | ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE 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) | | CAS DataBase Reference | 869363-13-3 |
| | ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE 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 | | target | Aurora A |
| | ETHYL 8-METHOXY-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE Preparation Products And Raw materials |
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