Gemilukast - ≥99% , CAS No.1232861-58-3

CAS: 1232861-58-3 Cat. No.: G649956 Formule: C36H37F2NO5 Poids moléculaire: 601.68 PubChem CID: 46830962
DISPONIBLE À COMMANDE
GRADE & PURITY ≥99%
Synonyms
4,4'-(4-fluoro-7-(2-(4-(4-(3-fluoro-2-methylphenyl)butoxy)phenyl)ethynyl)-2-methyl-1H-indole-1,3-diyl)dibutanoic acid | 4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid | 42I6GGX6D
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
G649956-5mg
Sur commande · 8–12 semaines
608,20€
10mg
G649956-10mg
Sur commande · 8–12 semaines
1 042,07€
50mg
G649956-50mg
Sur commande · 8–12 semaines
3 124,64€
100mg
G649956-100mg
Sur commande · 8–12 semaines
5 554,31€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

Gemilukast is an orally active and potent dual cysteinyl leukotriene 1 and 2 receptors (CysLT 1 and CysLT 2 ) antagonist, with IC 50 s of 1.7, 25 nM for human CysLT 1 and CysLT 2 , respectively.

In Vitro

Gemilukast is an orally active and potent dual cysteinyl leukotriene 1 and 2 receptors (CysLT 1 and CysLT 2 ) antagonist, with IC 50 s of 1.7, 25 nM for human CysLT 1 and CysLT 2 , respectively. Both Gemilukast (ONO-6950) and montelukast inhibit human CysLT 1 receptor-mediated calcium response with IC 50 values of 1.7 and 0.46 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Gemilukast at 0.03 to 10 mg/kg, p.o. dose-dependently attenuates LTC4-induced bronchoconstriction with almost complete inhibition at 3 mg/kg. The inhibitory effect of Gemilukast on LTC4-induced bronchoconstriction is significantly stronger than that of montelukast at the dose of 1 mg/kg or more. Gemilukast (0.03 to 1 mg/kg, p.o.) dose-dependently attenuates LTD4-induced airway vascular hyperpermeability with complete inhibition at 0.3 mg/kg. Gemilukast at 0.1 to 3 mg/kg, p.o. dose-dependently inhibits OVA-induced bronchoconstriction. The inhibitory effect of Gemilukast at 3 mg/kg is significantly greater than that of montelukast alone and comparable to that of combination therapy with montelukast and BayCysLT2RA. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CysLT 1 1.7 nM (IC 50 , in human) CysLT 2 25 nM (IC 50 , in human)

Specifications

Synonymes
4,4'-(4-fluoro-7-(2-(4-(4-(3-fluoro-2-methylphenyl)butoxy)phenyl)ethynyl)-2-methyl-1H-indole-1,3-diyl)dibutanoic acid | 4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid | 42I6GGX6D
Spécifications et pureté
≥99%
Mécanismes biochimiques et physiologiques
Gemilukast is an orally active and potent dual cysteinyl leukotriene 1 and 2 receptors (CysLT 1 and CysLT 2 ) antagonist, with IC 50 s of 1.7, 25 nM for human CysLT 1 and CysLT 2 , respectively.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
ANTAGONIST
Pureté
≥99%
Noms et identifiants
Sourires canoniquesCC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=C(C=C3)F)C(=C(N4CCCC(=O)O)C)CCCC(=O)O
IUPAC Name4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
InChIKeySILHYVDKGHXGBL-UHFFFAOYSA-N
INCHI1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
Isomères SMILES CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=C(C=C3)F)C(=C(N4CCCC(=O)O)C)CCCC(=O)O
CAS alternatif 1232861-58-3
PubChem CID 46830962
Termes d'entrée MeSH 4,4'-(4-fluoro-7-(2-(4-(4-(3-fluoro-2-methylphenyl)butoxy)phenyl)ethynyl)-2-methyl-1H-indole-1,3-diyl)dibutanoic acid;gemilukast;ONO-6950
Poids moléculaire 601.68

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIndoles and derivatives
SubclassN-alkylindoles
Intermediate Tree Nodes Not available
Direct ParentN-alkylindoles
Alternative Parents 3-alkylindoles  Phenoxy compounds  Phenol ethers  Toluenes  Alkyl aryl ethers  Fluorobenzenes  Substituted pyrroles  Aryl fluorides  Dicarboxylic acids and derivatives  Heteroaromatic compounds  Azacyclic compounds  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-alkylindole - 3-alkylindole - Indole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Substituted pyrrole - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CYSLTR2 Tchem Cysteinyl leukotriene receptor 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYSLTR2 Tchem Cysteinyl leukotriene receptor 2 (135 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Salmonella typhi (4293 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéDMSO : 250 mg/mL (415.50 mM; Need ultrasonic)
Poids moléculaire601.700 g/mol
XLogP37.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass601.264 Da
Monoisotopic Mass601.264 Da
Topological Polar Surface Area88.800 Ų
Heavy Atom Count44
Formal Charge0
Complexity988.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1232861-58-3, the molecular formula is C36H37F2NO5, and the molecular weight is 601.68 g/mol. InChIKey SILHYVDKGHXGBL-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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