ChemSpider 2D Image | APY-29 | C17H16N8

APY-29

  • Molecular FormulaC17H16N8
  • Average mass332.362 Da
  • Monoisotopic mass332.149780 Da
  • ChemSpider ID25057507

More details:

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

1216665-49-4 [RN]
2,4-Pyrimidinediamine, N2-1H-benzimidazol-5-yl-N4-(3-cyclopropyl-1H-pyrazol-5-yl)- [ACD/Index Name]
APY-29
N2-(1H-Benzimidazol-5-yl)-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-(1H-Benzimidazol-5-yl)-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-(1H-Benzimidazol-5-yl)-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N2-1H-benzimidazol-5-yl-N4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
N2-(1H-1,3-benzodiazol-5-yl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
[1216665-49-4] [RN]
2-N-(1H-1,3-benzodiazol-5-yl)-4-N-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
More...

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

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

    • Bio Activity:

      Allosteric modulator of IRE1?. Inhibits IRE1? autophosphorylation (IC50 = 280 nM) and activates IRE1? ribonuclease activity. Tocris Bioscience 4865
      Allosteric modulator of IRE1alpha. Inhibits IRE1alpha autophosphorylation (IC50 = 280 nM) and activates IRE1alpha ribonuclease activity. Tocris Bioscience 4865
      APY29 is an allosteric modulator of IRE1?; inhibits IRE1? autophosphorylation (IC50 = 280 nM) and activates IRE1? RNase activity.; IC50 value: 280 nM [1]; Target: IRE1?; APY29 is a highly potent and selective small molecule modulator of IRE1?. MedChem Express HY-17537
      Enzymes Tocris Bioscience 4865
      Esterases Tocris Bioscience 4865
      Inhibits IRE1? autophosphorylation; activates IRE1? endoribonuclease activity Tocris Bioscience 4865
      Inhibits IRE1alpha autophosphorylation; activates IRE1alpha endoribonuclease activity Tocris Bioscience 4865
      IRE1 Tocris Bioscience 4865
      IRE1 MedChem Express HY-17537
      Others MedChem Express HY-17537

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

Density: 1.6±0.1 g/cm3
Boiling Point: 782.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.9±35.7 °C
Index of Refraction: 1.861
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 108.21
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.31
ACD/KOC (pH 7.4): 423.52
Polar Surface Area: 107 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 103.5±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement