ZM447439 C29H31N5O4 structure

C29H31N5O4 structure
Molecular Formula C29H31N5O4
Average mass 513.588 Da
Density 1.3±0.1 g/cm3
Boiling Point 639.7±55.0 °C at 760 mmHg
Flash Point 340.7±31.5 °C
Molar Refractivity 148.5±0.3 cm3
Polarizability 58.9±0.5 10-24cm3
Surface Tension 61.6±3.0 dyne/cm
Molar Volume 400.5±3.0 cm3
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy
      [NC-30852]
    • Safety:

      20/21/22 Novochemy
      [NC-30852]
      20/21/36/37/39 Novochemy
      [NC-30852]
      5 Axon Medchem 1541
      GHS07; GHS09 Novochemy
      [NC-30852]
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1541
      H332; H403 Novochemy
      [NC-30852]
      IRRITANT Matrix Scientific 090337
      no pictogram Axon Medchem 1541
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1541
      P332+P313; P305+P351+P338 Novochemy
      [NC-30852]
      Sold with the permission of AstraZeneca UK Ltd. Tocris Bioscience 2458
      Warning Novochemy
      [NC-30852]
      Warning Axon Medchem 1541
      Xn Novochemy
      [NC-30852]
    • Bio Activity:

      Aurora Kinase MedChem Express HY-10128
      Aurora Kinases Tocris Bioscience 2458
      Cell Cycle/DNA Damage MedChem Express HY-10128
      Cell Cycle/DNA Damage; MedChem Express HY-10128
      Enzymes Tocris Bioscience 2458
      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
      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

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

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