ChemSpider 2D Image | PF-04418948 | C23H20FNO5

PF-04418948

  • Molecular FormulaC23H20FNO5
  • Average mass409.407 Da
  • Monoisotopic mass409.132538 Da
  • ChemSpider ID29341625

More details:






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

1-(4-Fluorbenzoyl)-3-{[(6-methoxy-2-naphthyl)oxy]methyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(4-Fluorobenzoyl)-3-{[(6-methoxy-2-naphthyl)oxy]methyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
1078166-57-0 [RN]
3-Azetidinecarboxylic acid, 1-(4-fluorobenzoyl)-3-[[(6-methoxy-2-naphthalenyl)oxy]methyl]- [ACD/Index Name]
Acide 1-(4-fluorobenzoyl)-3-{[(6-méthoxy-2-naphtyl)oxy]méthyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
PF-04418948
[1078166-57-0] [RN]
1-(4-fluorobenzoyl)-3-(((6-methoxynaphthalen-2-yl)oxy)methyl)azetidine-3-carboxylic acid
1-(4-fluorobenzoyl)-3-((6-methoxynaphthalen-2-yloxy)methyl)azetidine-3-carboxylic acid
1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I7Z38E70VF [DBID]
CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:I7Z38E70VF [DBID]
UNII-I7Z38E70VF [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2024
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2024
      no pictogram Axon Medchem 2024
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2024
      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4818
      Warning Axon Medchem 2024
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4818
      GPCR/G protein MedChem Express HY-18966
      GPCR/G protein; MedChem Express HY-18966
      PF-04418948 is a novel, potent and selective prostaglandin EP2 receptor antagonist with IC50 of 16 nM, displays >2000-fold functional selectivity for the human EP2 receptor over antagonist activity against the human EP1, EP3, EP4, DP1 and CRTH2 receptors.; IC50 value: 16 nM; Target: EP2; in vitro: PF-04418948 inhibits prostaglandin E2 (PGE2)-induced increase in cAMP in cells expressing EP2 receptors with a functional KB value of 1.8 nM. MedChem Express HY-18966
      PF-04418948 is a novel, potent and selective prostaglandin EP2 receptor antagonist with IC50 of 16 nM, displays >2000-fold functional selectivity for the human EP2 receptor over antagonist activity against the human EP1, EP3, EP4, DP1 and CRTH2 receptors.;IC50 value: 16 nM;Target: EP2;In vitro: PF-04418948 inhibits prostaglandin E2 (PGE2)-induced increase in cAMP in cells expressing EP2 receptors with a functional KB value of 1.8 nM. In human myometrium, PF-04418948 produced a parallel, rightward shift of the butaprost-induced inhibition of the contractions induced by electrical field stimulation with an apparent KB of 5.4 nM. [1];In vivo: In dog bronchiole and mouse trachea, PF-04418948 produced parallel rightward shifts of the PGE2-induced relaxation curve with a KB of 2.5 nM and an apparent KB of 1.3 nM respectively. Reversal of the PGE2-induced relaxation in the mouse trachea by PF-04418948 produced an IC50 value of 2.7 nM. Given orally, PF-04418948 attenuated the butaprost-in MedChem Express HY-18966
      Potent and selective EP2 receptor antagonist Tocris Bioscience 4818
      Potent EP2 receptor antagonist (IC50 = 16 nM for human EP2 receptors). Displays over 2000-fold selectivity for EP2 receptors over EP1, EP3, EP4, DP1 amd CRTH2 receptors; exhibits <30% binding at a div erse panel of GPCRs and ion channels at a concentration of 10 ?M. Inhibits PGE2-induced increases in intracellular cAMP; reverses PGE2-invoked relaxation of mouse trachea (IC50 = 2.7 nM). Tocris Bioscience 4818
      Potent EP2 receptor antagonist (IC50 = 16 nM for human EP2 receptors). Displays over 2000-fold selectivity for EP2 receptors over EP1, EP3, EP4, DP1 amd CRTH2 receptors; exhibits <30% binding at a diverse panel of GPCRs and ion channels at a concentration of 10 ?M. Inhibits PGE2-induced increases in intracellular cAMP; reverses PGE2-invoked relaxation of mouse trachea (IC50 = 2.7 nM). Tocris Bioscience 4818
      Potent EP2 receptor antagonist (IC50 = 16 nM for human EP2 receptors). Displays over 2000-fold selectivity for EP2 receptors over EP1, EP3, EP4, DP1 amd CRTH2 receptors; exhibits <30% binding at a diverse panel of GPCRs and ion channels at a concentration of 10 muM. Inhibits PGE2-induced increases in intracellular cAMP; reverses PGE2-invoked relaxation of mouse trachea (IC50 = 2.7 nM). Tocris Bioscience 4818
      Prostaglandin Receptor MedChem Express HY-18966
      Prostanoid Receptors Tocris Bioscience 4818

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.10
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

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