ChemSpider 2D Image | CNQX | C9H4N4O4

CNQX

  • Molecular FormulaC9H4N4O4
  • Average mass232.152 Da
  • Monoisotopic mass232.023254 Da
  • ChemSpider ID2951930

More details:






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

115066-14-3 [RN]
2,3-Dihydroxy-7-nitroquinoxaline-6-carbonitrile
6-CYANO-7-NITROQUINOXALINE-2,3-DIONE
6-Quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo- [ACD/Index Name]
7-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-6-chinoxalincarbonitril [German] [ACD/IUPAC Name]
7-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinecarbonitrile [ACD/IUPAC Name]
7-Nitro-2,3-dioxo-1,2,3,4-tétrahydro-6-quinoxalinecarbonitrile [French] [ACD/IUPAC Name]
7-Nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
CNQX
FG-9065
More...

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

6OTE87SCCW [DBID]
AE-641/00585012 [DBID]
C127_SIGMA [DBID]
C13668 [DBID]
NCGC00024491-01 [DBID]
Tocris-0190 [DBID]
VD1520000 [DBID]
ZINC00003668 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      <p>Potent and competitive AMPA and kainate receptor antagonist. Also antagonises NMDA receptors at the glycine site. Increases GABA<sub>A</sub> receptor spontaneous postsynaptic currents (sPSCs). Shows neuroprotective actions. Water soluble, <a title=Water soluble CNQX disodium salt AMPAR antagonist | Hello Bio href=/cnqx-disodium-salt.html target=_self>CNQX disodium salt</a> also available.</p> Hello Bio HB0204
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0204
      Glutamate (Ionotropic) Receptors Tocris Bioscience 190
      Ion Channels Tocris Bioscience 190
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/AMPA Hello Bio HB0204
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/Kainate Hello Bio HB0204
      Ligand-gated Ion Channels Tocris Bioscience 190
      Potent AMPA/kainate antagonist Tocris Bioscience 0190, 190
      Potent AMPA/kainate receptor antagonist. Also antagonist at glycine modulatory site on NMDA receptor complex. CNQX disodium salt (Cat. No. 1045) also available. Tocris Bioscience 0190, 190
      Potent AMPA/kainate receptor antagonist. Also antagonist at glycine modulatory site on NMDA receptor complex. Disodium Salt Available also available. Tocris Bioscience 190
      Potent, competitive AMPA / kainate receptor antagonist Hello Bio HB0204

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 52.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.68
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.12
Polar Surface Area: 128 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 97.4±5.0 dyne/cm
Molar Volume: 135.0±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  526.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  225.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.06E-011  (Modified Grain method)
    Subcooled liquid VP: 5.67E-009 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  606.7
       log Kow used: -0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  570.87 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.39E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.044E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.32  (KowWin est)
  Log Kaw used:  -13.465  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.145
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0593
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3257  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7501  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1752
   Biowin6 (MITI Non-Linear Model):   0.0129
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7046
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.56E-007 Pa (5.67E-009 mm Hg)
  Log Koa (Koawin est  ): 13.145
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.97 
       Octanol/air (Koa) model:  3.43 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.993 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  0.996 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1434 E-12 cm3/molecule-sec
      Half-Life =     9.355 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   112.259 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.32 (estimated)

 Volatilization from Water:
    Henry LC:  8.39E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.063E+012  hours   (4.43E+010 days)
    Half-Life from Model Lake :  1.16E+013  hours   (4.833E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.73e-006       225          1000       
   Water     46.1            900          1000       
   Soil      53.8            1.8e+003     1000       
   Sediment  0.0889          8.1e+003     0          
     Persistence Time: 977 hr




                    

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