Ezatiostat

Base Information

• Chemical Name: Ezatiostat
• CAS No.: 168682-53-9
• Molecular Formula: C27H35 N3 O6 S
• Molecular Weight: 529.65
• UNII: 057D10I8S8
• DSSTox Substance ID: DTXSID40168592
• Nikkaji Number: J1.584.553H
• Wikidata: Q27095680
• NCI Thesaurus Code: C83709
• Metabolomics Workbench ID: 149483
• ChEMBL ID: CHEMBL2110585
• Mol file: 168682-53-9.mol

Synonyms:ezatiotsat;gamma-Glu-S-BzCys-PhGly diethyl ester;gamma-glutamyl-S-(benzyl)cysteinyl-phenylglycine diethyl ester;T.199;Telintra;TER 199;TER-199;TLK 117;TLK 199;TLK-117;TLK-199;TLK117;TLK199

Chemical Property of Ezatiostat

Chemical Property:

• Melting Point: >94°C (dec.)
• Boiling Point: 749.7±60.0 °C(Predicted)
• PKA: 12?+-.0.46(Predicted)
• PSA: 169.10000
• Density: 1.216±0.06 g/cm3(Predicted)
• LogP: 4.87670
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 529.22465702
• Heavy Atom Count: 37
• Complexity: 725

Purity/Quality:

99%, ^*data from raw suppliers

Ezatiostat 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N
• Isomeric SMILES: CCOC(=O)[C@H](CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)OCC)N
• Description: Ezatiostat is an inhibitor of glutathione S-transferase pi 1-1 (GSTP1-1; Ki = 0.4 μM). It is selective for GSTP1-1 over GSTα and GSTμ family GSTs (Kis = 20-75 μM). Ezatiostat also inhibits the protein-protein interaction between GSTP1-1 and JNK1. In vivo, ezatiostat (75 mg/kg) increases the number of circulating white blood cells in Gstp1 wild-type, but not Gstp1-/-, mice.
• Uses: Ezatiostat is a tripeptide analog of glutathione that can selectively inhibit GSTP1-1, the most prevalent Glutathione S-transferases (GST) isozyme in nonhepatic tissues, catalytic activity with minimal effect on the related GSTα and -μ families.

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