SML0101

Montelukast sodium hydrate

≥98% (HPLC)

• Synonym(s): 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid sodium salt hydrate
• Empirical Formula (Hill Notation): C₃₅H₃₅ClNO₃S·Na · xH₂O
• Molecular Weight: 608.17 (anhydrous basis)
• MDL number: MFCD20527317
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825159

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• optical activity: [α]/D +90 to +106° in methanol (c=1)
• storage condition: desiccated
• color: white to tan
• solubility: DMSO: ≥8 mg/mL at 60 °C
• originator: Merck & Co., Inc., Kenilworth, NJ, U.S.
• storage temp.: 2-8°C
• SMILES string: O.[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)CC([O-])=O)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
• InChI: 1S/C35H36ClNO3S.Na.H2O/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);;1H2/q;+1;/p-1/b15-10+;;/t32-;;/m1../s1
• InChI key: QAXHQHBRRJHZHL-ZPQUALOVSA-M

Description

Application

Montelukast sodium hydrate has been used as a positive control drug to study the protective effects of Gumiganghwal-tang aqueous extract (GGTA) against airway inflammation and pulmonary fibrosis.

Biochem/physiol Actions

Montelukast sodium hydrate is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies. It is a subtype specific CysLT1 receptor antagonist.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

This compound is featured on the Leukotriene Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

This compound was developed by Merck & Co., Inc., Kenilworth, NJ, U.S.. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable