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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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

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