ChemSpider 2D Image | Thiamet G | C9H16N2O4S

Thiamet G

  • Molecular FormulaC9H16N2O4S
  • Average mass248.299 Da
  • Monoisotopic mass248.083084 Da
  • ChemSpider ID24605359

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,5R,6S,7R,7aR)-2-(Ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-5H-pyrano[3,2-d]thiazole-6,7-diol
(3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
(3aR,5R,6S,7R,7aR)-2-(Ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6,7-diol [German] [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2-(Ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2-(Éthylamino)-5-(hydroxyméthyl)-5,6,7,7a-tétrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol [French] [ACD/IUPAC Name]
1009816-48-1 [RN]
5H-Pyrano[3,2-d]thiazole-6,7-diol, 2-(ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-, (3aR,5R,6S,7R,7aR)- [ACD/Index Name]
MFCD15144964 [MDL number]
Thiamet G
(3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-3a,6,7,7a-tetrahydro-5H-pyrano[3,2-d]thiazole-6,7-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 4390
      Hydrolases Tocris Bioscience 4390
      Other Hydrolases Tocris Bioscience 4390
      Others MedChem Express HY-12588
      Potent O-GlcNAcase inhibitor Tocris Bioscience 4390
      Potent, selective inhibitor of O-GlcNAcase (Ki = 21 nM for human O-GlcNAcase). Decreases the phosphorylation of tau protein in vivo. Orally bioavailable and blood brain barrier permeable. Tocris Bioscience 4390
      Thiamet G is a potent and selective inhibitor of O-GlcNAcase that demonstrates a Ki value of 21 nM. MedChem Express
      Thiamet G is a potent and selective inhibitor of O-GlcNAcase that demonstrates a Ki value of 21 nM.; IC50 value: 21 nM [1]; Target: O-GlcNAcase inhibitor; Thiamet G increases cellular O-GlcNAc-modified protein levels (EC50 = 30 nM) and blocks phosphorylation of tau protein both in cultured PC-12 cells and in rats (200 mg/kg/day). MedChem Express HY-12588
      Thiamet G is a potent and selective inhibitor of O-GlcNAcase that demonstrates a Ki value of 21 nM.;IC50 value: 21 nM [1];Target: O-GlcNAcase inhibitor;Thiamet G increases cellular O-GlcNAc-modified protein levels (EC50 = 30 nM) and blocks phosphorylation of tau protein both in cultured PC-12 cells and in rats (200 mg/kg/day). Thiamet G is the first highly potent O-GlcNAcase inhibitor known to be orally bioavailable and effectively cross the blood brain barrier. MedChem Express HY-12588

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

Density: 1.8±0.1 g/cm3
Boiling Point: 483.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 246.0±31.5 °C
Index of Refraction: 1.729
Molar Refractivity: 56.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.30
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.71
Polar Surface Area: 120 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 141.9±7.0 cm3

Click to predict properties on the Chemicalize site


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