iralukast - Moligand™ , Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor, CAS No.151581-24-7, Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor

CAS: 151581-24-7 Cat. No.: I611140 PubChem CID: 6913104

GRADE & PURITY Moligand™

Synonyms

7-(((1S,2E,4Z)-9-(4-Acetyl-3-hydroxy-2-propylphenoxy)-1-((alphaR)-alpha-hydroxy-m-(trifluoromethyl)benzyl)-2,4-nonadienyl)thio-4-oxo-4H-1-benzopyran-2-carboxylic acid. | IXJCHVMUTFCRBH-SDUHDBOFSA-N | AKOS040755578 | SCHEMBL6438576 | UNII-L1E28E0J8F | Iral

Storage

Room temperature

Specifications

Sinónimos

7-(((1S,2E,4Z)-9-(4-Acetyl-3-hydroxy-2-propylphenoxy)-1-((alphaR)-alpha-hydroxy-m-(trifluoromethyl)benzyl)-2,4-nonadienyl)thio-4-oxo-4H-1-benzopyran-2-carboxylic acid. | IXJCHVMUTFCRBH-SDUHDBOFSA-N | AKOS040755578 | SCHEMBL6438576 | UNII-L1E28E0J8F | Iral

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor

Nombres e identificadores

• Sonrisas canónicas: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC=CC=CC(C(C2=CC(=CC=C2)C(F)(F)F)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O
• IUPAC Name: 7-[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
• InChIKey: IXJCHVMUTFCRBH-SDUHDBOFSA-N
• INCHI: 1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1
• Isómeros SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC/C=C\C=C\[C@@H]([C@@H](C2=CC(=CC=C2)C(F)(F)F)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O
• CAS alternativo: 151581-24-7
• PubChem CID: 6913104
• Términos de entrada MeSH: 1-hydroxy-1-(3-trifluoromethylphenyl)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)deca-3(E),5(Z)-diene-2-yl-7-thio-4-oxo-4H-1-benzopyran-2-carboxylic acid;CGP 45715A;CGP-45715 A;iralukast

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Chromones Trifluoromethylbenzenes Acetophenones Phenylpropanes Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Pyranones and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Carboxylic acids Sulfenyl compounds Oxacyclic compounds Alkyl fluorides Aromatic alcohols Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Chromone - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - Acetophenone - Phenylpropane - Aryl thioether - Phenoxy compound - Thiophenol ether - Benzoyl - Phenol ether - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Alkylarylthioether - Phenol - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Sulfenyl compound - Thioether - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - Aromatic alcohol - Alcohol - Organohalogen compound - Organofluoride - Organic oxide - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CYSLTR2 Tchem Cysteinyl leukotriene receptor 2 (1 Activities)

Discover Target: CYSLTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (1 Activities)

Discover Target: CYSLTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Peso molecular: 710.800 g/mol
• XLogP3: 8.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 16
• Exact Mass: 710.216 Da
• Monoisotopic Mass: 710.216 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 151581-24-7. InChIKey IXJCHVMUTFCRBH-SDUHDBOFSA-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.