ChemSpider 2D Image | GNE-477 | C21H28N8O3S2


  • Molecular FormulaC21H28N8O3S2
  • Average mass504.629 Da
  • Monoisotopic mass504.172577 Da
  • ChemSpider ID24670516

More details:

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

1032754-81-6 [RN]
2-Pyrimidinamine, 5-[7-methyl-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]- [ACD/Index Name]
5-[7-Methyl-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[7-Methyl-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[7-Méthyl-6-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-2-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
[1032754-81-6] [RN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      GNE-477 is a potent and efficacious dual PI3K/mTOR inhibitor with IC50 of 4 nM for PI3K?, Kiapp is 21 nM for mTOR.; IC50 value: 4 nM(PI3K?); 21 nM(mTOR, Kiapp); Target: PI3K/mTOR inhibitor; GNE-477 is a potent dual PI3K/mTOR inhibitor that displays desirable pharmacokinetic properties in each of three species studied. MedChem Express HY-11042
      mTOR MedChem Express HY-11042
      mTOR PI3K MedChem Express HY-11042
      PI3K/Akt/mTOR MedChem Express HY-11042
      PI3K/Akt/mTOR; MedChem Express HY-11042

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.3±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 77.66
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 84.83
Polar Surface Area: 167 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

Click to predict properties on the Chemicalize site