ChemSpider 2D Image | ezatiostat | C27H35N3O6S

ezatiostat

  • Molecular FormulaC27H35N3O6S
  • Average mass529.648 Da
  • Monoisotopic mass529.224670 Da
  • ChemSpider ID4470493

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-5-{[(2R)-3-(benzylsulfanyl)-1-{[(1R)-2-éthoxy-2-oxo-1-phényléthyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
168682-53-9 [RN]
ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate
Ethyl (2S)-2-amino-5-{[(2R)-3-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-amino-5-{[(2R)-3-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino}-1-oxo-2-propanyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
ezatiostat [INN]
ezatiostat [Spanish] [INN]
ézatiostat [French] [INN]
ezatiostatum [Latin] [INN]
(2R)-L-?-glutamyl-S-(phenylmethyl)-L-cysteinyl-2-phenyl-glycine-1,3-diethyl ester
More...

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

057D10I8S8 [DBID]
8930 [DBID]
UNII:057D10I8S8 [DBID]
UNII-057D10I8S8 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ezatiostat(TER199; TLK199) is a glutathione analog inhibitor of glutathione S-transferase (GST) P1-1. MedChem Express
      Ezatiostat(TER199; TLK199) is a glutathione analog inhibitor of glutathione S-transferase (GST) P1-1.; IC50 value: ; Target: GST P1-1; Ezatiostat hydrochloride (TLK199, Telintra) is the first glutathione S-transferase P1-1 (GST P1-1) inhibitor prodrug to demonstrate a clinically significant improvement in the cytopenias affecting patients with myelodysplastic syndrome (MDS), thereby validating this enzyme as a candidate target for pharmacologic intervention.; Structurally, ezatiostat is a tripeptide glutathione analog diethyl ester that is metabolized in vivo to the diacid, which is a potent and selective inhibitor of GST P1-1, an enzyme overexpressed in many human hematologic cancers. MedChem Express HY-13634A
      Ezatiostat(TER199; TLK199) is a glutathione analog inhibitor of glutathione S-transferase (GST) P1-1.;IC50 value: ;Target: GST P1-1Ezatiostat hydrochloride (TLK199, Telintra) is the first glutathione S-transferase P1-1 (GST P1-1) inhibitor prodrug to demonstrate a clinically significant improvement in the cytopenias affecting patients with myelodysplastic syndrome (MDS), thereby validating this enzyme as a candidate target for pharmacologic intervention.Structurally, ezatiostat is a tripeptide glutathione analog diethyl ester that is metabolized in vivo to the diacid, which is a potent and selective inhibitor of GST P1-1, an enzyme overexpressed in many human hematologic cancers. This inhibition induces a dissociation of GST P1-1 from its complex with c-jun N-terminal kinase (JNK)/c-Jun and activates signaling pathways that lead to cell proliferation and differentiation of normal hematopoietic cells and apoptosis of malignant cells. MedChem Express HY-13634A
      Gutathione S-transferase MedChem Express HY-13634A
      Others MedChem Express HY-13634A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 25.99
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 73.32
ACD/KOC (pH 7.4): 672.75
Polar Surface Area: 162 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 435.5±3.0 cm3

Click to predict properties on the Chemicalize site


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