ChemSpider 2D Image | BPTES | C24H24N6O2S3

BPTES

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID2617537

More details:

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

2-phenyl-N-{5-[2-({2-[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide
314045-39-1 [RN]
Benzeneacetamide, N,N'-[thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bis- [ACD/Index Name]
Bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide
BPTES
MFCD01079848
N,N'-[Sulfandiylbis(2,1-ethandiyl-1,3,4-thiadiazol-5,2-diyl)]bis(2-phenylacetamid) [German] [ACD/IUPAC Name]
N,N'-[Sulfanediylbis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) [ACD/IUPAC Name]
N,N'-[Sulfanediylbis(2,1-éthanediyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phénylacétamide) [French] [ACD/IUPAC Name]
N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)
More...

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

CCRIS 4693 [DBID]
ZINC04426660 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Allosteric glutaminase (GLS1) inhibitor (IC50 = 3.3 ?M). Selective for GLS1 over GLS2 and ?-glutamyl transpeptidase. Induces cell death of P493 human lymphoma B cells in vitro and reduces tumor volume of P493 cell xenografts in mice. Tocris Bioscience 5301
      Allosteric glutaminase (GLS1) inhibitor (IC50 = 3.3 muM). Selective for GLS1 over GLS2 and gamma-glutamyl transpeptidase. Induces cell death of P493 human lymphoma B cells in vitro and reduces tumor volume of P493 cell xenografts in mice. Tocris Bioscience 5301
      BPTES is a potent and selective allosteric inhibitor of kidney-type glutaminase (GLS) that has served as a molecular probe to determine the therapeutic potential of GLS inhibition. MedChem Express http://www.medchemexpress.com/Tizoxanide.html, HY-12683
      BPTES is a potent and selective allosteric inhibitor of kidney-type glutaminase (GLS) that has served as a molecular probe to determine the therapeutic potential of GLS inhibition. ;IC50: 3.3 uM;Target: Glutaminase;In vitro: BPTES is a potent and selective allosteric inhibitor of kidney-type glutaminase (GLS) that has served as a molecular probe to determine the therapeutic potential of GLS inhibition. The truncated derivatives of BPTES inhibits GLS with IC50 of 3.3 uM.;In vivo: BPTES exhibits potency and good solubility, attenuates the growth of P493 human lymphoma B cells in a mouse xenograft model. MedChem Express HY-12683
      Enzymes Tocris Bioscience 5301
      Glutaminase Tocris Bioscience 5301
      Hydrolases Tocris Bioscience 5301
      Others MedChem Express HY-12683
      Selective allosteric glutaminase (GLS1) inhibitor Tocris Bioscience 5301

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.31
ACD/KOC (pH 5.5): 3471.53
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 619.47
ACD/KOC (pH 7.4): 3466.83
Polar Surface Area: 192 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 369.4±3.0 cm3

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