ChemSpider 2D Image | PF-3716556 | C22H26N4O3

PF-3716556

  • Molecular FormulaC22H26N4O3
  • Average mass394.467 Da
  • Monoisotopic mass394.200500 Da
  • ChemSpider ID26232166

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[N-(2-Hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide]
928774-43-0 [RN]
Imidazo[1,2-a]pyridine-6-carboxamide, 8-[[(4R)-3,4-dihydro-5-methyl-2H-1-benzopyran-4-yl]amino]-N-(2-hydroxyethyl)-N,2-dimethyl- [ACD/Index Name]
MFCD19690947
N-(2-Hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide
N-(2-Hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino}imidazo[1,2-a]pyridin-6-carboxamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-N,2-dimethyl-8-{[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-N,2-diméthyl-8-{[(4R)-5-méthyl-3,4-dihydro-2H-chromén-4-yl]amino}imidazo[1,2-a]pyridine-6-carboxamide [French] [ACD/IUPAC Name]
PF-03716556
PF-3716556
More...

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

701L6668UD [DBID]
UNII:701L6668UD [DBID]
UNII-701L6668UD [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4191

    • Bio Activity:

      ATPase Tocris Bioscience 4191
      ATPases/GTPases Tocris Bioscience 4191
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1123
      Enzymes Tocris Bioscience 4191
      Enzymes/ATPase / GTPase Hello Bio HB1123
      H+,K+-ATPase inhibitor (pIC50 = 6 in human recombinant ion-leaky assays); more potent in acidic conditions. Highly selective for H+,K+-ATPase in vitro; displays no activity at Na+,K+-ATPase. Also disp lays selectivity for H+,K+-ATPase over a range of 50 receptors and ion channels (IC50 > 10 ?M). Inhibits gastric acid secretion in rat and dog models. Tocris Bioscience 4191
      H+,K+-ATPase inhibitor (pIC50 = 6 in human recombinant ion-leaky assays); more potent in acidic conditions. Highly selective for H+,K+-ATPase in vitro; displays no activity at Na+,K+-ATPase. Also displays selectivity for H+,K+-ATPase over a range of 50 receptors and ion channels (IC50 > 10 ?M). Inhibits gastric acid secretion in rat and dog models. Tocris Bioscience 4191
      H+,K+-ATPase inhibitor (pIC50 = 6 in human recombinant ion-leaky assays); more potent in acidic conditions. Highly selective for H+,K+-ATPase in vitro; displays no activity at Na+,K+-ATPase. Also displays selectivity for H+,K+-ATPase over a range of 50 receptors and ion channels (IC50 > 10 muM). Inhibits gastric acid secretion in rat and dog models. Tocris Bioscience 4191
      Membrane Tranporter/Ion Channel MedChem Express HY-13100
      Membrane Tranporter/Ion Channel; MedChem Express HY-13100
      PF 03716556 is a potent, and selective acid pump (H+,K+ ATPase)antagonist, with pIC50 value of 6.009.; IC50 value:6.009 (pIC50); Target: H+,K+ ATPase; PF-03716556 inhibited the activity of H+, K+-ATPase with pIC50 of 6.026 ? 0.112, 6.038 ? 0.039 and 6.009 ? 0.209 at pH 6.4 for porcine, canine and human ion-leaky membrane vesicles, respectively. MedChem Express HY-13100
      PF 03716556 is a potent, and selective acid pump (H+,K+ ATPase)antagonist, with pIC50 value of 6.009.;IC50 value:6.009 (pIC50);Target: H+,K+ ATPasePF-03716556 inhibited the activity of H+, K+-ATPase with pIC50 of 6.026 ? 0.112, 6.038 ? 0.039 and 6.009 ? 0.209 at pH 6.4 for porcine, canine and human ion-leaky membrane vesicles, respectively. PF-03716556 (PF03716556) is useful for treatment of gastroesophageal reflux disease. MedChem Express HY-13100
      Potassiun Channel MedChem Express HY-13100
      Potent and selective acid pump antagonist (pIC<sub>50</sub> values are 6.03, 6.04 and 6.01 for Porcine, Canine and Human recombinant ion leaky assay respectively). Competitively inhibits H<sup>+</sup>, K<sup>+</sup> -ATPase but exhibits no activity against Na<sup>+</sup>, K<sup>+</sup> -ATPase. Displays greater potency in acidic conditions. Also inhibits gastric acid secretion in dogs. Hello Bio HB1123
      Potent, selective acid pump antagonist Hello Bio HB1123
      Selective H+,K+-ATPase inhibitor Tocris Bioscience 4191

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 68.60
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.35
ACD/KOC (pH 7.4): 220.60
Polar Surface Area: 79 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 302.0±7.0 cm3

Click to predict properties on the Chemicalize site


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