ChemSpider 2D Image | 2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid | C15H11F3N2O3

2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid

  • Molecular FormulaC15H11F3N2O3
  • Average mass324.255 Da
  • Monoisotopic mass324.072174 Da
  • ChemSpider ID30917376

More details:

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

1531634-31-7 [RN]
2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
2-[(6-Methyl-2-pyridinyl)carbamoyl]-5-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
2-[(6-Methylpyridin-2-Yl)carbamoyl]-5-(Trifluoromethyl)benzoic Acid
Acide 2-[(6-méthyl-2-pyridinyl)carbamoyl]-5-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(6-methyl-2-pyridinyl)amino]carbonyl]-5-(trifluoromethyl)- [ACD/Index Name]
2-((6-methylpyridin-2-yl)carbamoyl)-5-(trifluoromethyl)benzoic acid
2JQ
AF38469
AF-38469
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AF38469 is an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin with IC50 of 330 nM. MedChem Express
      AF38469 is an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin with IC50 of 330 nM.; IC50 value: 330 nM [1]; Target: Sortilin inhibitor; AF38469 showed no inhibition or stimulation of >50% at 10 lM; in a standard selectivity panel of ca. MedChem Express HY-12802
      AF38469 is an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin with IC50 of 330 nM.;IC50 value: 330 nM [1];Target: Sortilin inhibitorAF38469 showed no inhibition or stimulation of >50% at 10 lM;In a standard selectivity panel of ca. 70 targets run at CEREP. Importantly AF38469 showed no activity against the NTR1receptor. In addition AF38469 showed no activity against aselected panel of targets known to bind acidic molecules (d-Opioid,GPR40, PPARd, EP1, Angiotensin AT1, Endothelin ETA & B,MMP-12). AF38469 will serve as an important tool to further delineate the biology of Sortilin, and to facilitate evaluation of the therapeutic potential of this protein. MedChem Express HY-12802
      Others MedChem Express HY-12802

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

Density: 1.4±0.1 g/cm3
Boiling Point: 392.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 191.1±27.9 °C
Index of Refraction: 1.591
Molar Refractivity: 75.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site


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