ChemSpider 2D Image | Volasertib | C34H50N8O3

Volasertib

  • Molecular FormulaC34H50N8O3
  • Average mass618.813 Da
  • Monoisotopic mass618.400574 Da
  • ChemSpider ID26327706
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

6EM57086EA
755038-65-4 [RN]
9228
Benzamide, N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy- [ACD/Index Name]
BI 6727
N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamid [German] [ACD/IUPAC Name]
N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}-4-{[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-2-pteridinyl]amino}-3-methoxybenzamide [ACD/IUPAC Name]
N-{trans-4-[4-(Cyclopropylméthyl)-1-pipérazinyl]cyclohexyl}-4-{[(7R)-7-éthyl-8-isopropyl-5-méthyl-6-oxo-5,6,7,8-tétrahydro-2-ptéridinyl]amino}-3-méthoxybenzamide [French] [ACD/IUPAC Name]
[755038-65-4]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1473
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1473
      no pictogram Axon Medchem 1473
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1473
      Warning Axon Medchem 1473
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12137
      Cell Cycle/DNA Damage; MedChem Express HY-12137
      Polo-like Kinase (PLK) MedChem Express HY-12137
      Volasertib(BI6727) is a highly potent PLK1 inhibitor with an IC50 of 0.87 nM; shows 6- and 65-fold greater selectivity against Plk2 and Plk3.; IC50 Value: 0.87 nM; Target: PLK1; in vitro: Like BI2536, BI6727 is an ATP-competitive kinase inhibitor from the dihydropteridinone class of compounds. MedChem Express HY-12137

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 38.78
ACD/KOC (pH 7.4): 299.19
Polar Surface Area: 106 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 490.6±5.0 cm3

Click to predict properties on the Chemicalize site





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