Terutroban

Base Information

• Chemical Name: Terutroban
• CAS No.: 165538-40-9
• Molecular Formula: C20H22 Cl N O4 S
• Molecular Weight: 407.91
• UNII: A6WX9391D8
• DSSTox Substance ID: DTXSID30870091
• Nikkaji Number: J3.327.960D
• Wikipedia: Terutroban
• Wikidata: Q7705345
• NCI Thesaurus Code: C90753
• Pharos Ligand ID: CLK4TUT82S7R
• ChEMBL ID: CHEMBL2107786
• Mol file: 165538-40-9.mol

Synonyms:3-((6-amino-(4-chlorobenzenesulfonyl)-2-methyl-5,6,7,8-tetrahydronapht)-1-yl)propionic acid;3-((6R)-6-(((4-chlorophenyl)sulfonyl)amino)-2-methyl-5,6,7,8 tetrahydro-1-naphthalenyl) propanoic acid, sodium salt;S 18204;S-18204;S-18885;S-18886;S18886;terutroban;terutroban, sodium salt

Chemical Property of Terutroban

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.637
• Boiling Point: 591.818°C at 760 mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 311.721°C
• PSA: 91.85000
• Density: 1.389g/cm³
• LogP: 4.97310
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 407.0958071
• Heavy Atom Count: 27
• Complexity: 612

Purity/Quality:

97% ^*data from raw suppliers

Terutroban ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(CC(CC2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1)CCC(=O)O
• Isomeric SMILES: CC1=C(C2=C(C[C@@H](CC2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1)CCC(=O)O
• Recent EU Clinical Trials: Effects of S 18886 on platelet function in type 2 diabetic patients treated by low-dose aspirin and with elevated levels of thromboxane A2. A multicentre, randomised, double-blind, cross-over study comparing S 18886 30 mg o.d. versus aspirin 100 mg o.d. administered orally.
• Description: The lipid mediator thromboxane A2 (TXA2) plays a key role in platelet aggregation and vascular and bronchial smooth muscle constriction. The actions of TXA2 are mediated by its specific G protein coupled-receptor, referred to as the TXA2 receptor or TP. S18886 is an orally active, long-acting antagonist of the TP receptor with an IC50 value of 16.4 nM. It inhibits TP receptor-mediated vascular contractions, platelet aggregation, and adhesion and infiltration of monocytes/macrophages in various pre-clinical and clinical models of thrombosis or atherosclerosis. S18886 is the active isomer of the potent TP receptor antagonist, S18204. Antagonists of TP receptors have advantages over aspirin as they not only block the effect of TXA2 on platelets, but also inhibit other ligands such as prostaglandin endoperoxides and isoprostanes.
• Uses: Terutroban functions as an anti-platelets therapies for patients with ischemic stroke or transient ischemic attack. Also used in the research process of anti-coagulant drugs in preventing and controlling cerebral stroke.