ChemSpider 2D Image | SPP86 | C16H15N5

SPP86

  • Molecular FormulaC16H15N5
  • Average mass277.324 Da
  • Monoisotopic mass277.132751 Da
  • ChemSpider ID28522960

More details:

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

1357349-91-7 [RN]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1-methylethyl)-3-(2-phenylethynyl)- [ACD/Index Name]
1-Isopropyl-3-(phenylethinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-Isopropyl-3-(phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-Isopropyl-3-(phényléthynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
MFCD23379049
SPP86
[1357349-91-7] [RN]
1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-isopropyl-3-(2-phenylethynyl)pyrazolo[3,4-d]pyrimidin-4-amine
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 5391
      Other RTKs Tocris Bioscience 5391
      Potent RET inhibitor Tocris Bioscience 5391
      Potent RET inhibitor (IC50 = 8 nM). Also exhibits inhibitory activity at EphA1, FGFR1, Flt4, Lck and Yes. Inhibits proliferation of HCT 116 and TPC1 cells in vitro. Cell permeable. Tocris Bioscience 5391
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 5391

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.3±27.3 °C
Index of Refraction: 1.664
Molar Refractivity: 83.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.69
ACD/KOC (pH 5.5): 650.52
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.04
ACD/KOC (pH 7.4): 675.61
Polar Surface Area: 70 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 224.6±7.0 cm3

Click to predict properties on the Chemicalize site


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