ChemSpider 2D Image | auranofin | C20H34AuO9PS

auranofin

  • Molecular FormulaC20H34AuO9PS
  • Average mass678.484 Da
  • Monoisotopic mass678.132629 Da
  • ChemSpider ID21242895

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranosato-κS1)(triethylphosphoranyliden)gold [German] [ACD/IUPAC Name]
(2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranosato-κS1)(triethylphosphoranylidene)gold [ACD/IUPAC Name]
(2,3,4,6-Tétra-O-acétyl-1-thio-β-D-glucopyranosato-κS1)(triéthylphosphoranylidène)or [French] [ACD/IUPAC Name]
(2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranosato-κS1)(triethyl-λ5-phosphanylidene)gold
auranofin [Wiki]
Gold, (β-D-glucopyranosato-κS1, 1-thio-, 2,3,4,6-tetraacetate)(triethylphosphoranylidene)- [ACD/Index Name]
(1-Thio-β-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate
(1-Thio-β-D-glucopyranosato)(triethylphosphine)gold2,3,4,6-tetraacetate
(2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranosato-κS(1))(triethylphosphine)gold
(2,3,4,6-tetra-O-acetyl-1-thio-β-D-glucopyranosato-κS(1))(triethylphosphoranylidene)gold
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8187029 [DBID]
UN 2811 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An <element>S</element>-glycosyl compound consisting of 2,3,4,6-tetra-<element>O</element>-acetyl-1-thio-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose with the sufur atom coordinated to (trie thylphosphoranylidene)gold. It is administered orally for the treatment of active progressive rheumatoid arthritis. ChEBI CHEBI:2922
      An S-glycosyl compound consisting of 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose with the sufur atom coordinated to (trie; thylphosphoranylidene)gold. It is administered orally for the treatmen t of active progressive rheumatoid arthritis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2922
      An S-glycosyl compound consisting of 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose with the sufur atom coordinated to (triethylphosphoranylidene)gold. It is administered orally for the treatment of active progressive rheumatoid arthritis. ChEBI CHEBI:2922

    • Bio Activity:

      Enzymes Tocris Bioscience 4600
      Inhibitor of thioredoxin reductase (TrxR) (IC50 = 20 nM; Ki = 4 nM for the NADPH-reduced form of human cytosolic TrxR). Thought to induce the mitochondrial permeability transition via inhibition of mi tochondrial TrxR. Also exhibits anti-inflammatory and immunosuppressive activities; inhibits 5-lipoxygenase at high concentrations and stimulates LTA hydrolase at low concentrations. Tocris Bioscience 4600
      Inhibitor of thioredoxin reductase (TrxR) (IC50 = 20 nM; Ki = 4 nM for the NADPH-reduced form of human cytosolic TrxR). Thought to induce the mitochondrial permeability transition via inhibition of mitochondrial TrxR. Also exhibits anti-inflammatory and immunosuppressive activities; inhibits 5-lipoxygenase at high concentrations and stimulates LTA hydrolase at low concentrations. Tocris Bioscience 4600
      Other Reductase Tocris Bioscience 4600
      Reductases Tocris Bioscience 4600
      Thioredoxin reductase inhibitor; induces MPT Tocris Bioscience 4600
      TrxR Tocris Bioscience 4600

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 150 Å2
Polarizability:
Surface Tension:
Molar Volume:

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