ChemSpider 2D Image | EPPTB | C20H21F3N2O2

EPPTB

  • Molecular FormulaC20H21F3N2O2
  • Average mass378.388 Da
  • Monoisotopic mass378.155518 Da
  • ChemSpider ID26387935

More details:






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

Benzamide, N-(3-ethoxyphenyl)-4-(1-pyrrolidinyl)-3-(trifluoromethyl)- [ACD/Index Name]
EPPTB [Wiki]
N-(3-Ethoxyphenyl)-4-(1-pyrrolidinyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(3-Ethoxyphenyl)-4-(1-pyrrolidinyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(3-Éthoxyphényl)-4-(1-pyrrolidinyl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Ro-5212773
[1110781-88-8]
1110781-88-8 [RN]
acetic acid, ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)
AGN-PC-04XANL
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      5 Axon Medchem 2419
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2419
      no pictogram Axon Medchem 2419
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2419
      Warning Axon Medchem 2419
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4518
      Trace amine 1 (TA1) receptor antagonist/inverse agonist Tocris Bioscience 4518
      Trace amine 1 (TA1) receptor antagonist/inverse agonist; exhibits a higher potency at the mouse TA1 receptor than the rat and human TA1 receptors (IC50 values are 27.5, 4539 and 7487 nM, respectively) . Blocks the TA1 receptor-mediated activation of an inwardly rectifying K+ current, which increases the firing frequency of dopamine (DA) neurons in the ventral tegmental area. Increases DA potency at the D2 receptor. Also displays inverse agonism, reducing basal cAMP levels in vitro (IC50 = 19 nM). Tocris Bioscience 4518
      Trace amine 1 (TA1) receptor antagonist/inverse agonist; exhibits a higher potency at the mouse TA1 receptor than the rat and human TA1 receptors (IC50 values are 27.5, 4539 and 7487 nM, respectively). Blocks the TA1 receptor-mediated activation of an inwardly rectifying K+ current, which increases the firing frequency of dopamine (DA) neurons in the ventral tegmental area. Increases DA potency at the D2 receptor. Also displays inverse agonism, reducing basal cAMP levels in vitro (IC50 = 19 nM). Tocris Bioscience 4518
      Trace Amine 1 Receptor Tocris Bioscience 4518

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1398.65
ACD/KOC (pH 5.5): 6212.57
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1398.92
ACD/KOC (pH 7.4): 6213.77
Polar Surface Area: 42 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

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