ChemSpider 2D Image | ZM447439 | C29H31N5O4

ZM447439

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID8090061

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

331771-20-1 [RN]
Benzamide, N-[4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]- [ACD/Index Name]
N-[4-({6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-chinazolinyl}amino)phenyl]benzamid [German] [ACD/IUPAC Name]
N-[4-({6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl}amino)phenyl]benzamide [ACD/IUPAC Name]
N-[4-({6-Méthoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl}amino)phényl]benzamide [French] [ACD/IUPAC Name]
N-[4-({6-Methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide
N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
RSN3P9776R
TCMDC-125873
ZM 447439
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

447 [DBID]
CCRIS 4693 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold with the permission of AstraZeneca UK Ltd. Tocris Bioscience 2458

    • Chemical Class:

      A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respe ctively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively. ChEBI CHEBI:91376

    • Bio Activity:

      Aurora Kinase MedChem Express HY-10128
      Aurora Kinases Tocris Bioscience 2458
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1444
      Cell Cycle/DNA Damage MedChem Express HY-10128
      Cell Cycle/DNA Damage; MedChem Express HY-10128
      Enzymes Tocris Bioscience 2458
      Enzymes/Kinase/Aurora kinase Hello Bio HB1444
      Inhibits Aurora kinase B Tocris Bioscience 2458
      Kinases Tocris Bioscience 2458
      Novel, selective ATP-competitive inhibitor of Aurora B kinase in vitro (IC50 values are 50, 250 and 1000 nM for Aurora B, C and A kinases respectively). Selective over a range of other kinases includi ng cdk1 and PLK1 (IC50 > 10 ?M). Inhibits cell division and displays selective toxicity towards proliferating tumor cells versus non-dividing cells. Tocris Bioscience 2458
      Novel, selective ATP-competitive inhibitor of Aurora B kinase in vitro (IC50 values are 50, 250 and 1000 nM for Aurora B, C and A kinases respectively). Selective over a range of other kinases including cdk1 and PLK1 (IC50 > 10 ?M). Inhibits cell division and displays selective toxicity towards proliferating tumor cells versus non-dividing cells. Tocris Bioscience 2458
      Novel, selective ATP-competitive inhibitor of Aurora B kinase in vitro (IC50 values are 50, 250 and 1000 nM for Aurora B, C and A kinases respectively). Selective over a range of other kinases including cdk1 and PLK1 (IC50 > 10 muM). Inhibits cell division and displays selective toxicity towards proliferating tumor cells versus non-dividing cells. Tocris Bioscience 2458
      Potent, selective and ATP-competitive Aurora kinase B inhibitor (IC<sub>50</sub> values are 50, 250 and 1000 nM for Aurora kinase B, C and A respectively). Inhibits mitotic chromosome alignment, mitotic segregation and cytokinesis. Shows anti-proliferative and anti-cancer actions. Hello Bio HB1444
      Potent, selective, ATP-competitive Aurora kinase B inhibitor Hello Bio HB1444
      ZM 447439 is a selective and ATP-competitive inhibitor for Aurora A and Aurora B with IC50 of 110 nM, 130 nM respectively, > 8 fold selectivity than Aurora C, MEK1, Src.; IC50 Value: 110 nM( for Aurora A); 130 nM (for Aurora B) [1]; Target: Aurora Kinase; in vitro: ZM-447439 time- and dose-dependently inhibits the growth of all three cell lines with IC50 values of 3 ?M (BON), 0.9 ?M (QGP-1) and 3 ?M (MIP-101) after 72 hours of continuous exposure. MedChem Express HY-10128

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 19.82
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 148.44
ACD/KOC (pH 7.4): 1133.70
Polar Surface Area: 98 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 400.5±3.0 cm3

Click to predict properties on the Chemicalize site


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