ChemSpider 2D Image | ML128 | C13H11ClN2O2

ML128

  • Molecular FormulaC13H11ClN2O2
  • Average mass262.692 Da
  • Monoisotopic mass262.050903 Da
  • ChemSpider ID24606047

More details:






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

1161205-04-4 [RN]
2-Pyridinecarboxamide, N-(4-chloro-3-methoxyphenyl)- [ACD/Index Name]
CID-44191096
MFCD16618402 [MDL number]
ML128
N-(4-Chlor-3-methoxyphenyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-methoxyphenyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-(4-Chloro-3-méthoxyphényl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-(4-Chloro-3-methoxyphenyl)pyridine-2-carboxamide
VU 0361737
More...
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1842
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1842
      no pictogram Axon Medchem 1842
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1842
      Warning Axon Medchem 1842
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3707
      Biochemicals & small molecules/Agonists & activators Hello Bio HB0638
      Glutamate (Metabotropic) Group III Receptors Tocris Bioscience 3707
      Glutamate (Metabotropic) Receptors Tocris Bioscience 3707
      GPCR/G protein; MedChem Express HY-14418
      mGlu<sub>4</sub> positive allosteric modulator Hello Bio HB0638
      mGlu<sub>4</sub> receptor positive allosteric modulator (EC<sub>50</sub> = 0.24 &micro;M). Displays little activity at mGlu<sub>5</sub> and mGlu<sub>8</sub> receptors and no activity at mGlu<sub>1, 2, 3, 6 and 7</sub> receptors. Blood-brain barrier permeable. Hello Bio HB0638
      mGluR MedChem Express HY-14418
      Receptors & Transporters/G protein coupled receptors/Metabotropic glutamate/Group III (mGlu<sub>4</sub>, mGlu<sub>6</sub>, mGlu<sub>7</sub>, mGlu<sub>8</sub>) Hello Bio HB0638
      Selective positive allosteric modulator at mGlu4 Tocris Bioscience 3707
      Selective positive allosteric modulator at mGlu4 receptors (EC50 values are 240 and 110 nM at human and rat receptors respectively). Inactive at mGlu1, mGlu2, mGlu3, mGlu6 and mGlu7 receptors and disp lays weak activity at mGlu5 and mGlu8 receptors. Brain penetrant. Tocris Bioscience 3707
      Selective positive allosteric modulator at mGlu4 receptors (EC50 values are 240 and 110 nM at human and rat receptors respectively). Inactive at mGlu1, mGlu2, mGlu3, mGlu6 and mGlu7 receptors and displays weak activity at mGlu5 and mGlu8 receptors. Brain penetrant. Tocris Bioscience 3707
      VU 0361737 is a selective positive allosteric modulator (PAM) for mGlu4 receptor with EC50 of 240 nM and 110 nM at human and rat receptors, respectively, displays weak activity at mGlu5 and mGlu8 receptors, is inactive at mGlu1, mGlu2, mGlu3, mGlu6 and mGlu7 receptors.;IC50 value: 110 nM (EC50, for rat ), 240 nM (EC50, for human);Target: mGlu4;In vitro: VU0361737 is inactive at mGlu1, mGlu2, mGlu3, mGlu6 and mGlu7 receptors and displays weak activity at mGlu5 and mGlu8 receptors. [3];In vivo: VU0361737 shows high in vivo CL in rat, a short half-life (T1/2 20 min), and demonstrates significant brain exposure (brain-to-plasma ratio of 4.1). [3] MedChem Express HY-14418

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

Density: 1.3±0.1 g/cm3
Boiling Point: 329.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.3±26.5 °C
Index of Refraction: 1.633
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.76
ACD/KOC (pH 5.5): 468.19
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.74
ACD/KOC (pH 7.4): 467.97
Polar Surface Area: 51 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

Click to predict properties on the Chemicalize site






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