sulukast - Moligand™ , Antagonist of CysLT 1 receptor, CAS No.98116-53-1, Antagonist of CysLT 1 receptor

CAS: 98116-53-1 Cat. No.: S613755 PubChem CID: 6436123

GRADE & PURITY Moligand™

Synonyms

3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid | SCHEMBL37634 | CHEBI:177556 | Propanoic acid, 3-((1-(hydroxy(3-(1H-tetrazol-5-yl)phenyl)methyl)-2,4-tetradecadienyl)thio)-, (R-(R*,S*-(E,Z)))- | Sulu

Storage

Room temperature

Specifications

Sinónimos

3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid | SCHEMBL37634 | CHEBI:177556 | Propanoic acid, 3-((1-(hydroxy(3-(1H-tetrazol-5-yl)phenyl)methyl)-2,4-tetradecadienyl)thio)-, (R-(R*,S*-(E,Z)))- | Sulu

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

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O
• IUPAC Name: 3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid
• InChIKey: YPHOSUPSOWQQCB-AFOLHBCXSA-N
• INCHI: 1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1
• Isómeros SMILES: CCCCCCCCC/C=C\C=C\[C@H]([C@H](C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O
• CAS alternativo: 98116-53-1
• PubChem CID: 6436123
• Términos de entrada MeSH: 5-(3-(2-(carboxyethylthio)-1-hydroxypentadeca-3,5-dienyl)phenyl)-1H-tetrazole;LY 170680;LY-170680;LY170680

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to 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)

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)

CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

Discover Target: CYSLTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 472.600 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 472.251 Da
• Monoisotopic Mass: 472.251 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 590.000
• 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 98116-53-1. InChIKey YPHOSUPSOWQQCB-AFOLHBCXSA-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.