ChemSpider 2D Image | A839977 | C19H14Cl2N6O

A839977

  • Molecular FormulaC19H14Cl2N6O
  • Average mass413.260 Da
  • Monoisotopic mass412.060608 Da
  • ChemSpider ID26232171

More details:

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

1-(2,3-Dichlorophenyl)-N-[2-(2-pyridinyloxy)benzyl]-1H-tetrazol-5-amine [ACD/IUPAC Name]
1-(2,3-Dichlorophényl)-N-[2-(2-pyridinyloxy)benzyl]-1H-tétrazol-5-amine [French] [ACD/IUPAC Name]
1-(2,3-Dichlorphenyl)-N-[2-(2-pyridinyloxy)benzyl]-1H-tetrazol-5-amin [German] [ACD/IUPAC Name]
1H-Tetrazol-5-amine, 1-(2,3-dichlorophenyl)-N-[[2-(2-pyridinyloxy)phenyl]methyl]- [ACD/Index Name]
870061-27-1 [RN]
a-839977
A839977
[870061-27-1] [RN]
1-(2,3-dichlorophenyl)-N-(2-(pyridin-2-yloxy)benzyl)-1H-tetrazol-5-amine
1-(2,3-dichlorophenyl)-N-[(2-pyridin-2-yloxyphenyl)methyl]tetrazol-5-amine
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      A-839977 is a novel and selective P2X7 antagonist; blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20, 42 and 150 nM respectively). MedChem Express
      A-839977 is a novel and selective P2X7 antagonist; blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20, 42 and 150 nM respectively).; IC50 Value: ; Target: P2X7; in vitro: A-839977 potently (IC50=20-150 nM) blocked BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors. MedChem Express HY-13954
      A-839977 is a novel and selective P2X7 antagonist; blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20, 42 and 150 nM respectively).;IC50 Value: ;Target: P2X7;In vitro: A-839977 potently (IC50=20-150 nM) blocked BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors. A-839977 also potently blocked agonist-evoked YO-PRO uptake and IL-1beta release from differentiated human THP-1 cells [1]. ;In vivo: Systemic administration of A-839977 dose-dependently reduced thermal hyperalgesia produced by intraplantar administration of complete Freund's adjuvant (CFA) (ED50=100 micromol/kg, i.p.) in rats. A-839977 also produced robust antihyperalgesia in the CFA model of inflammatory pain in wild-type mice (ED50=40 micromol/kg, i.p.), but the antihyperalgesic effects of A-839977 were completely absent in IL-1alphabeta knockout mice [1]. MedChem Express HY-13954
      Ion Channels Tocris Bioscience 4232
      Ligand-gated Ion Channels Tocris Bioscience 4232
      Membrane Tranporter/Ion Channel MedChem Express HY-13954
      Membrane Tranporter/Ion Channel; MedChem Express HY-13954
      P2X Receptor MedChem Express HY-13954
      P2X Receptors Tocris Bioscience 4232
      Potent P2X7 antagonist Tocris Bioscience 4232
      Potent P2X7 antagonist; blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20, 42 and 150 nM respectively). Displays antinociceptive effects in rat and mice models of inflammatory pain. CNS penetrant. Tocris Bioscience 4232
      Potent P2X7 antagonist; blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20, 42 and 150 nM respectively). Displays antinociceptive effects in rat and mice models of inflammatory pain. CNS penetrant. Tocris Bioscience 4232

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

Density: 1.5±0.1 g/cm3
Boiling Point: 604.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.7±34.3 °C
Index of Refraction: 1.701
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 964.28
ACD/KOC (pH 5.5): 4757.11
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 966.98
ACD/KOC (pH 7.4): 4770.43
Polar Surface Area: 78 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 283.7±7.0 cm3

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