ChemSpider 2D Image | AZD 2932 | C24H25N5O4

AZD 2932

  • Molecular FormulaC24H25N5O4
  • Average mass447.486 Da
  • Monoisotopic mass447.190643 Da
  • ChemSpider ID9692768

More details:






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

2-{4-[(6,7-Dimethoxy-4-chinazolinyl)oxy]phenyl}-N-(1-isopropyl-1H-pyrazol-4-yl)acetamid [German] [ACD/IUPAC Name]
2-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N-(1-isopropyl-1H-pyrazol-4-yl)acetamide [ACD/IUPAC Name]
2-{4-[(6,7-Diméthoxy-4-quinazolinyl)oxy]phényl}-N-(1-isopropyl-1H-pyrazol-4-yl)acétamide [French] [ACD/IUPAC Name]
2-{4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-N-(1-isopropylpyrazol-4-yl)acetamide
2-{4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
883986-34-3 [RN]
AZD 2932
Benzeneacetamide, 4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-N-[1-(1-methylethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
2-(4-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-n-(1-isopropyl-1h-pyrazol-4-yl)acetamide
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      VEGFR inhibitor TargetMol T1836
    • Bio Activity:

      AZD2932 is a new series of quinazoline ether inhibitor which potently inhibits VEGFR-2 and PDGFR with IC50s of 4 nM/8 nM/ 7 nM for PDGFR?/VEGFR-2/Flt-3.; IC50 value: 4 nM/8 nM/ 7 nM(PDGFR?/VEGFR-2/Flt-3) [1]; Target: PDGFR?/VEGFR2; The same C6 in vivo model was used to study tumor growth; inhibition (TGI) with AZD2932. MedChem Express HY-18179
      PDGFR MedChem Express HY-18179
      PDGFR VEGFR MedChem Express HY-18179
      PDGFR??/VEGFR2/Flt-3 TargetMol T1836
      Protein Tyrosine Kinase/RTK MedChem Express HY-18179
      Protein Tyrosine Kinase/RTK; MedChem Express HY-18179
      Tyrosine Kinase/Adaptors TargetMol T1836

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.01
ACD/KOC (pH 5.5): 764.84
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.17
ACD/KOC (pH 7.4): 766.41
Polar Surface Area: 100 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 347.4±7.0 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) =  3.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  639.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  277.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.11E-014  (Modified Grain method)
    Subcooled liquid VP: 6.85E-012 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):  3.132
       log Kow used: 3.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.5463 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.74E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.087E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.15  (KowWin est)
  Log Kaw used:  -16.713  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.863
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1951
   Biowin2 (Non-Linear Model)     :   0.9987
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9068  (months      )
   Biowin4 (Primary Survey Model) :   3.5704  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0624
   Biowin6 (MITI Non-Linear Model):   0.0099
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6625
 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):  9.13E-010 Pa (6.85E-012 mm Hg)
  Log Koa (Koawin est  ): 19.863
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.28E+003 
       Octanol/air (Koa) model:  1.79E+007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 234.9431 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.546 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.022E+004
      Log Koc:  4.306 

 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 = 1.728 (BCF = 53.49)
       log Kow used: 3.15 (estimated)

 Volatilization from Water:
    Henry LC:  4.74E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.613E+015  hours   (1.089E+014 days)
    Half-Life from Model Lake :  2.85E+016  hours   (1.188E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               7.19  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.05  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       6.07e-007       1.09         1000       
   Water     10.1            1.44e+003    1000       
   Soil      89.5            2.88e+003    1000       
   Sediment  0.362           1.3e+004     0          
     Persistence Time: 2.74e+003 hr




                    

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