PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | Alisertib | C27H20ClFN4O4

Alisertib

  • Molecular FormulaC27H20ClFN4O4
  • Average mass518.924 Da
  • Monoisotopic mass518.115723 Da
  • ChemSpider ID24700147

More details:






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

1028486-01-2 [RN]
4-{[9-Chlor-7-(2-fluor-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxy-benzoic acid
4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid [ACD/IUPAC Name]
9331
Acide 4-{[9-chloro-7-(2-fluoro-6-méthoxyphényl)-5H-pyrimido[5,4-d][2]benzazépin-2-yl]amino}-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
alisertib [French] [INN]
alisertib [Spanish] [INN]
alisertibum [Latin] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2003
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2003
      IRRITANT Matrix Scientific 097249
      no pictogram Axon Medchem 2003
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2003
      Warning Axon Medchem 2003
    • Target Organs:

      Aurora Kinase inhibitor TargetMol T2241
    • Bio Activity:

      Alisertib (MLN8237) is a selective Aurora A inhibitor with IC50 of 1.2 nM; has >200-fold higher selectivity for Aurora A than Aurora B.; IC50 Value: 1.2 nM (Aurora A); Target: Aurora A; in vitro: MLN8237 (0.5 ?M) treatment inhibits the phosphorylation of Aurora A in MM1.S and OPM1 cells, without affecting the Aurora B mediated histone H3 phosphorylation. MedChem Express HY-10971
      Aurora A, Aurora B TargetMol T2241
      Aurora Kinase MedChem Express HY-10971
      Cell Cycle/Checkpoint TargetMol T2241
      Cell Cycle/DNA Damage MedChem Express HY-10971
      Cell Cycle/DNA Damage; MedChem Express HY-10971

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 729.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.8±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 603.11
ACD/KOC (pH 5.5): 1352.54
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 18.73
ACD/KOC (pH 7.4): 42.00
Polar Surface Area: 106 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 360.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement