ChemSpider 2D Image | CH5132799 | C15H19N7O3S


  • Molecular FormulaC15H19N7O3S
  • Average mass377.422 Da
  • Monoisotopic mass377.127014 Da
  • ChemSpider ID26328046

More details:

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

1007207-67-1 [RN]
2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]- [ACD/Index Name]
5-[7-(Methylsulfonyl)-2-(4-morpholinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[7-(Methylsulfonyl)-2-(4-morpholinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[7-(Méthylsulfonyl)-2-(4-morpholinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
[1007207-67-1] [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      PI3K inhibitor; mTOR inhibitor TargetMol T2619
    • Bio Activity:

      CH5132799 selectively inhibits class I PI3Ks, such as PI3K?, PI3K?, PI3K?, and PI3K? with IC50 values of 0.014, 0.12, 0.50, and 0.36 uM, respectively; shows less inhibition of class II PI3Ks, class III PI3ks, and mTOR.; IC50 value: 14/120/500/360 nM (PI3K?/?/?/?) ; Target: ; Prediction of CH5132799 response on the basis of PIK3CA mutations could enable patient stratification in clinical settings. MedChem Express HY-15466
      PI3K MedChem Express HY-15466
      PI3K/Akt/mTOR MedChem Express HY-15466
      PI3K/Akt/mTOR Signaling TargetMol T2619
      PI3K/Akt/mTOR; MedChem Express HY-15466
      PI3K??/??/??/??, mTOR TargetMol T2619

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

Density: 1.6±0.1 g/cm3
Boiling Point: 751.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.1±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.87
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.36
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.96
Polar Surface Area: 136 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 238.8±5.0 cm3

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