ChemSpider 2D Image | Miglitol | C8H17NO5

Miglitol

  • Molecular FormulaC8H17NO5
  • Average mass207.224 Da
  • Monoisotopic mass207.110672 Da
  • ChemSpider ID390074
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-(2-Hydroxyéthyl)-2-(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)piperidin-3,4,5-triol
(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
(2R,3R,4R,5S)-1-(2-hydroxyéthyl)-2-(hydroxyméthyl)pipéridine-3,4,5-triol
0V5436JAQW
276-661-6 [EINECS]
3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)- [ACD/Index Name]
5879
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C07708 [DBID]
D00625 [DBID]
SK-983 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2067
      A10BF02 Wikidata Q772735
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2067
      no pictogram Axon Medchem 2067
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2067
      Warning Axon Medchem 2067
    • Target Organs:

      MGA inhibitor; GAA antagonist TargetMol T1529
    • Drug Status:

      approved BIONET-Key Organics KS-1242
    • Bio Activity:

      ?-glucosidase inhibitor Tocris Bioscience 4985
      alpha-glucosidase inhibitor Tocris Bioscience 4985
      Antidiabetic used in the management of diabetes mellitus Zerenex Molecular [ZBioX-0150]
      Enzymes Tocris Bioscience 4985
      Glycosylases Tocris Bioscience 4985
      Inhibitor of ?-glucosidase; antihyperglycemic. Suppresses postprandial hyperglycemia in vivo and reduces plasma glucose concentration in normal rats and in several animal models of diabetes. Shown to inhibit the loss of pancreatic ? cells in type 2 diabetic rats. Also inhibits apoptosis and mitochondrial overproduction of reactive oxygen species in endothelial cells in vitro. Tocris Bioscience 4985
      Inhibitor of ?-glucosidase; antihyperglycemic. Suppresses postprandial hyperglycemia in vivo and reduces plasma glucose concentration in normal rats and in several animal models of diabetes. Shown to inhibit the loss of pancreatic ? cells in type 2 diabetic rats. Also inhibits apoptosis and mitochondrial overproduction of reactive oxygen species in endothelial cells in vitro. Tocris Bioscience 4985
      Inhibitor of alpha-glucosidase; antihyperglycemic. Suppresses postprandial hyperglycemia in vivo and reduces plasma glucose concentration in normal rats and in several animal models of diabetes. Shown to inhibit the loss of pancreatic beta cells in type 2 diabetic rats. Also inhibits apoptosis and mitochondrial overproduction of reactive oxygen species in endothelial cells in vitro. Tocris Bioscience 4985
      Metabolism TargetMol T1529
      MGA;GAA TargetMol T1529
      Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose. MedChem Express
      Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose.; Target: Others; Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose. MedChem Express HY-B0481
      Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose.;Target: Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose. It is primarily used in diabetes mellitus type 2 for establishing greater glycemic control by preventing the digestion of carbohydrates (such as disaccharides, oligosaccharides, and polysaccharides) into monosaccharides which can be absorbed by the body. Miglitol inhibits glycoside hydrolase enzymes called alpha-glucosidases. Since miglitol works by preventing digestion of carbohydrates, it lowers the degree of postprandial hyperglycemia. It must be taken at the start of main meals to have maximal effect. Its effect will depend on the amount of non-monosaccharide carbohydrates in a person's diet. Dietary supplementation with miglitol from pre-onset stage in OLETF rats delays the onset and develo MedChem Express HY-B0481
      Others MedChem Express HY-B0481

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 284.3±27.4 °C
Index of Refraction: 1.598
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 104 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 142.1±3.0 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) =  -3.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  409.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  156.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.33E-010  (Modified Grain method)
    Subcooled liquid VP: 1.6E-008 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):  1e+006
       log Kow used: -3.53 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.34E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.999E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.53  (KowWin est)
  Log Kaw used:  -12.751  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.221
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2373
   Biowin2 (Non-Linear Model)     :   0.9687
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2863  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9080  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0342
   Biowin6 (MITI Non-Linear Model):   0.8496
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5408
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.13E-006 Pa (1.6E-008 mm Hg)
  Log Koa (Koawin est  ): 9.221
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.41 
       Octanol/air (Koa) model:  0.000408 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.981 
       Mackay model           :  0.991 
       Octanol/air (Koa) model:  0.0316 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 154.2233 E-12 cm3/molecule-sec
      Half-Life =     0.069 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.832 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.986 (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: -3.53 (estimated)

 Volatilization from Water:
    Henry LC:  4.34E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.942E+011  hours   (8.092E+009 days)
    Half-Life from Model Lake : 2.119E+012  hours   (8.827E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       9.65e-006       1.66         1000       
   Water     34.5            208          1000       
   Soil      65.5            416          1000       
   Sediment  0.0596          1.87e+003    0          
     Persistence Time: 387 hr




                    

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