GW311616 hydrochloride

Base Information

• Chemical Name: GW311616 hydrochloride
• CAS No.: 197890-44-1
• Molecular Formula: C19H32ClN3O4S
• Molecular Weight: 434.0
• European Community (EC) Number: 633-739-8
• UNII: 171SKM32U6
• Wikidata: Q27251853
• Pharos Ligand ID: TAY4F39T1YFJ
• ChEMBL ID: CHEMBL2368616
• Mol file: 197890-44-1.mol

Synonyms:GW 311616;GW311616;GW311616A

Chemical Property of GW311616 hydrochloride

Chemical Property:

• Storage Temp.: 2-8°C
• Solubility.: H2O: 24 mg/mL, soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 433.1802054
• Heavy Atom Count: 28
• Complexity: 707

Purity/Quality:

>98% ^*data from raw suppliers

GW311616HCl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C.Cl
• Isomeric SMILES: CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)/C=C/CN3CCCCC3)N(C1=O)S(=O)(=O)C.Cl
• Description: GW 311616A is an inhibitor of neutrophil elastase (IC50 = 100 nM). It is selective for neutrophil elastase (IC50 = 22 nM for the human enzyme) over trypsin, cathepsin G, and plasmin (IC50s = >100 μM for all), as well as chymotrypsin and tissue plasminogen activator (IC50s = >3 μM for both), in cell-free assays. GW 311616A (20 μM) inhibits the formation of neutrophil extracellular traps (NETs) induced by phorbol 12-myristate 13-acetate (PMA; ) in isolated human neutrophils. It inhibits intraneutrophil elastase activity in isolated dog blood six hours after administration of a 0.22 mg/kg dose. GW 311616A also inhibits neutrophil elastase in the liver in a mouse model of liver ischemia-reperfusion injury when administered at a dose of 2 mg/kg.