ChemSpider 2D Image | JNJ 16259685 | C20H23NO3

JNJ 16259685

  • Molecular FormulaC20H23NO3
  • Average mass325.401 Da
  • Monoisotopic mass325.167786 Da
  • ChemSpider ID21259037

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dihydro-2H-pyrano[2,3-b]chinolin-7-yl(cis-4-methoxycyclohexyl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-2H-pyrano[2,3-b]quinoléin-7-yl(cis-4-méthoxycyclohexyl)méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-2H-pyrano[2,3-b]quinolin-7-yl(cis-4-methoxycyclohexyl)methanone [ACD/IUPAC Name]
409345-29-5 [RN]
JNJ 16259685
Methanone, (3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)(cis-4-methoxycyclohexyl)- [ACD/Index Name]
(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-methoxy-cyclohexyl)-methanone
(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)((1s,4s)-4-methoxycyclohexyl)methanone
(3,4-dihydro-2h-pyrano[2,3-b]quinolin-7-yl)-(cis-4-methoxycyclohexyl)methanone
(3,4-Dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-(cis-4-methoxycyclohexyl)-methanone
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2333
      Extremely potent, mGlu1-selective non-competitive antagonist Tocris Bioscience 2333
      Glutamate (Metabotropic) Group I Receptors Tocris Bioscience 2333
      Glutamate (Metabotropic) Receptors Tocris Bioscience 2333
      Highly potent, mGlu1-selective non-competitive antagonist Tocris Bioscience 2333
      Sub-nanomolar potent, non-competitive mGlu1 antagonist (Ki = 0.34 nM). Inhibits glutamate-induced Ca2+ response at the human mGlu1 receptor with an IC50 value of 0.55 nM. Selective over mGlu5 (> 400-f old) and displays no activity at mGlu2, mGlu3, mGlu4, mGlu6, AMPA or NMDA receptors (IC50 > 10 ?M). Centrally active following systemic administration. Tocris Bioscience 2333
      Sub-nanomolar potent, non-competitive mGlu1 antagonist (Ki = 0.34 nM). Inhibits glutamate-induced Ca2+ response at the human mGlu1 receptor with an IC50 value of 0.55 nM. Selective over mGlu5 (> 400-fold) and displays no activity at mGlu2, mGlu3, mGlu4, mGlu6, AMPA or NMDA receptors (IC50 > 10 ?M). Centrally active following systemic administration. Tocris Bioscience 2333
      Sub-nanomolar potent, non-competitive mGlu1 antagonist (Ki = 0.34 nM). Inhibits glutamate-induced Ca2+ response at the human mGlu1 receptor with an IC50 value of 0.55 nM. Selective over mGlu5 (> 400-fold) and displays no activity at mGlu2, mGlu3, mGlu4, mGlu6, AMPA or NMDA receptors (IC50 > 10 muM). Centrally active following systemic administration. Tocris Bioscience 2333

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.7±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.45
ACD/KOC (pH 5.5): 3526.98
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 635.22
ACD/KOC (pH 7.4): 3531.30
Polar Surface Area: 48 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 268.7±5.0 cm3

Click to predict properties on the Chemicalize site


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