pobilukast - Moligand™ , Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor, CAS No.107023-41-6, Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor

CAS: 107023-41-6 Cat. No.: P612889 PubChem CID: 60842

GRADE & PURITY Moligand™

Synonyms

(2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid | GTPL3334 | SKF 104353 | 3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid(SKF 104353) | UNII-R2N8IH71HC | 3-(2-Carboxy-ethylsulfanyl)

Storage

Room temperature

Specifications

Synonyme

(2S,3R)-3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid | GTPL3334 | SKF 104353 | 3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2-(8-phenyl-octyl)-phenyl]-propionic acid(SKF 104353) | UNII-R2N8IH71HC | 3-(2-Carboxy-ethylsulfanyl)

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of CysLT 1 receptor;Antagonist of CysLT 2 receptor

Namen und Kennungen

Kanonisches Lächeln

OC(=O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@H](C(=O)O)O

IUPAC Name

(2S,3R)-3-[(2-carboxyethyl)sulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid

InChIKey

PZIFPMYXXCAOCC-JWQCQUIFSA-N

INCHI

1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1

Isomere SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]([C@H](C(=O)O)O)SCCC(=O)O

PubChem CID

60842

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Monosaccharides Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols Sulfenyl compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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

Zugehörige Ziele (menschlich)

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 (4 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

Homo sapiens (32628 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Cavia porcellus (23802 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 458.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 458.213 Da
• Monoisotopic Mass: 458.213 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 534.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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 107023-41-6. InChIKey PZIFPMYXXCAOCC-JWQCQUIFSA-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.