N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide

Base Information

• Chemical Name: N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
• CAS No.: 331771-20-1
• Molecular Formula: C29H31N5O4
• Molecular Weight: 513.596
• UNII: RSN3P9776R
• DSSTox Substance ID: DTXSID00186833
• Nikkaji Number: J2.090.591C
• Wikipedia: ZM447439
• Wikidata: Q8063129
• Pharos Ligand ID: J66QY94SX9D3
• ChEMBL ID: CHEMBL202721
• Mol file: 331771-20-1.mol

Synonyms:4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline;ZM 447439;ZM-447439;ZM447439

Chemical Property of N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide

Chemical Property:

• Appearance/Colour: Pale yellow solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 117-120 °C
• Refractive Index: 1.664
• Boiling Point: 639.671 °C at 760 mmHg
• Flash Point: 340.661 °C
• PSA: 97.84000
• Density: 1.282 g/cm³
• LogP: 4.81930
• Storage Temp.: Desiccate at RT
• Solubility.: Soluble in DMSO (up to 50 mg/ml) or in Ethanol (up to 25 mg/ml).
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 513.23760449
• Heavy Atom Count: 38
• Complexity: 709

Purity/Quality:

99% ^*data from raw suppliers

ZM 447439 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5
• Description: ZM 447439 is a selective and ATP-competitive inhibitor for Aurora A and Aurora B with IC50 of 110 nM and 130 nM, respectively. It is more than 8-fold selective for Aurora A/B than MEK1, Src, Lck and has little effect against CDK1/2/4, Plk1, Chk1, etc. The Aurora kinases have important roles in regulating mitosis and cytokinesis, with Aurora B involved in centromere function as part of the Chromosomal Passenger Complex, with survivin, INCENP, and borealin. ZM 447439 is a selective inhibitor of Aurora B kinase (IC50 = 50 nM), less potently inhibiting Aurora C and A (IC50 = 250 and 1,000 nM, respectively). It has no effect on several other kinases, including Cdk1, Cdk2, Cdk4, Plk1, CHK1, KDR2, and FAK (IC50 > 10 μM). ZM 447439 has been used to study the role of Aurora B in molecular events associated with mitosis and cytokinesis. Moreover, ZM 447439 selectively inhibits proliferating cells rather than non-dividing cells, suggesting its potential in cancer therapy.
• Uses: It is a potent and selective inhibitor of Aurora B kinase. Cells treated with ZM-447439 progress through interphase, enter mitosis and assemble bipolar spindles but chromosome alignment, segregation a nd cytokinesis all fail. It induces apoptosos in Hep2 cancer cells and in acute myeloid leukemia cell lines but its propensity to induce polyploidy does not inevitably result in apoptosis. It is a potent and selective inhibitor of Aurora B kinase. Cells treated with ZM-447439 progress through interphase, enter mitosis and assemble bipolar spindles but chromosome alignment, segregation and cytokinesis all fail. It induces apoptosos in Hep2 cancer cells and in acute myeloid leukemia cell lines but its propensity to induce polyploidy does not inevitably result in apoptosis.