ChemSpider 2D Image | A804598 | C19H17N5

A804598

  • Molecular FormulaC19H17N5
  • Average mass315.372 Da
  • Monoisotopic mass315.148407 Da
  • ChemSpider ID26377919

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(5-Chinolinyl)-2-cyan-3-[(1S)-1-phenylethyl]guanidin [German] [ACD/IUPAC Name]
1125758-85-1 [RN]
1-Cyano-2-[(1S)-1-phényléthyl]-3-(5-quinoléinyl)guanidine [French] [ACD/IUPAC Name]
1-Cyano-2-[(1S)-1-phenylethyl]-3-(5-quinolinyl)guanidine [ACD/IUPAC Name]
A804598
A-804598
Guanidine, N''-cyano-N-[(1S)-1-phenylethyl]-N'-5-quinolinyl- [ACD/Index Name]
N''-cyano-N'-[(1S)-1-phenylethyl]-N-(quinolin-5-yl)guanidine
(E)-N`-CYANO-N-[(1S)-1-PHENYLETHYL]-N``-(QUINOLIN-5-YL)GUANIDINE
(S)-2-cyano-1-(1-phenylethyl)-3-(quinolin-5-yl)guanidine
More...

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

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ion Channels Tocris Bioscience 4473
      Ligand-gated Ion Channels Tocris Bioscience 4473
      P2X Receptors Tocris Bioscience 4473
      Potent and selective P2X7 antagonist Tocris Bioscience 4473
      Potent, competitive P2X7 receptor antagonist (IC50 values are 8.9, 9.9 and 10.9 nM for mouse, rat and human P2X7 receptors respectively). Selective for P2X7 receptors (IC50 > 5-10 ?M for a wide array of cell surface receptors and ion channels). Binds with high affinity (Ki app = 2.4 nM for rat P2X7 receptors). Tocris Bioscience 4473
      Potent, competitive P2X7 receptor antagonist (IC50 values are 8.9, 9.9 and 10.9 nM for mouse, rat and human P2X7 receptors respectively). Selective for P2X7 receptors (IC50 > 5-10 ?M for a wide array of cell surface receptors and ion channels). Binds with high affinity (Ki app = 2.4 nM for rat P2X7 receptors). Tocris Bioscience 4473
      Potent, competitive P2X7 receptor antagonist (IC50 values are 8.9, 9.9 and 10.9 nM for mouse, rat and human P2X7 receptors respectively). Selective for P2X7 receptors (IC50 > 5-10 muM for a wide array of cell surface receptors and ion channels). Binds with high affinity (Ki app = 2.4 nM for rat P2X7 receptors). Tocris Bioscience 4473

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±29.3 °C
Index of Refraction: 1.640
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 70.84
ACD/KOC (pH 5.5): 710.33
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.61
ACD/KOC (pH 7.4): 798.23
Polar Surface Area: 73 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 267.6±7.0 cm3

Click to predict properties on the Chemicalize site


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