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SML0101

Sigma-Aldrich

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

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About This Item

Empirical Formula (Hill Notation):
C35H35ClNO3S·Na · xH2O
Molecular Weight:
608.17 (anhydrous basis)
MDL number:
MFCD20527317
UNSPSC Code:
12352200
PubChem Substance ID:
329825159
NACRES:
NA.77

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

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.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aqueous extract of gumiganghwal-tang, a traditional herbal medicine, reduces pulmonary fibrosis by transforming growth Factor beta1/Smad signaling pathway in murine model of chronic Asthma
Jeon WY, et al.
Testing, 11(10), e0164833-e0164833 (2016)
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Prostaglandins, leukotrienes, and essential fatty acids, 141, 17-23 (2019-01-22)
Identification of the characterization of cysteinyl leukotrienes receptor (CysLTRs) could facilitate our understanding of these receptors' role in asthma. We aimed to investigate the localization and interactions of CysLTRs using a mouse model of asthma. BALB/c mice were administered ovalbumin
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