Tipelukast

Base Information

• Chemical Name: Tipelukast
• CAS No.: 125961-82-2
• Molecular Formula: C29H38 O7 S
• Molecular Weight: 530.67
• UNII: 08379P260O
• DSSTox Substance ID: DTXSID00925325
• Nikkaji Number: J1.264.798K
• Wikidata: Q27236352
• NCI Thesaurus Code: C74581
• Metabolomics Workbench ID: 153423
• ChEMBL ID: CHEMBL2104988
• Mol file: 125961-82-2.mol

Synonyms:4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid;KCA 757;KCA-757;KCA757;MN 001;MN-001;MN001 cpd

Chemical Property of Tipelukast

Chemical Property:

• Boiling Point: 735.3±60.0 °C(Predicted)
• PKA: 4.59±0.10(Predicted)
• PSA: 135.43000
• Density: 1.22
• LogP: 6.50720
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 530.23382472
• Heavy Atom Count: 37
• Complexity: 714

Purity/Quality:

97% ^*data from raw suppliers

Tipelukast ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC
• Recent ClinicalTrials: MN-001 in Non-alcoholic Fatty Liver Disease, Type 2 Diabetes Mellitus, and Hypertriglyceridemia
• Uses: Tipelukast a novel oral anti-inflammatory agent, suppresses bladder hyperactivity in a rat model.