2-(3-Pentylphenyl)acetic acid(PBI-4050) - Moligand™, ≥95% , G-protein coupled receptor 84 antagonist, CAS No.1002101-19-0, G-protein coupled receptor 84 antagonist

CAS: 1002101-19-0 Cat. No.: S613548 Summenformel: C₁₃H₁₈O₂ Molekulargewicht: 206.28 PubChem CID: 24749700

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-(3-Pentylphenyl)acetic acid | 1002101-19-0 (free acid) | BDBM50548388 | setogepram | DB15447 | HY-100775A | 1002101-19-0 | AKOS028113459 | Benzeneacetic acid, 3-pentyl- | Z1508932704 | EN300-1168886 | CQB10119 | 2-(3-Pentylphenyl)aceticacid | (3-pentylp

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

ezagepras (Setogepram) is an active GPR40 agonist and is an antagonist or inverse agonist of GPR84 with anti-inflammatory, anti-fibrotic, and anti-proliferative actions.

Specifications

Synonyme

2-(3-Pentylphenyl)acetic acid | 1002101-19-0 (free acid) | BDBM50548388 | setogepram | DB15447 | HY-100775A | 1002101-19-0 | AKOS028113459 | Benzeneacetic acid, 3-pentyl- | Z1508932704 | EN300-1168886 | CQB10119 | 2-(3-Pentylphenyl)aceticacid | (3-pentylp

Spezifikationen & Reinheit

Moligand™, ≥95%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

Moligand™

Aktionsart

AGONIST, ANTAGONIST

Mechanismus der Wirkung

G-protein coupled receptor 84 antagonist

Reinheit

≥95%

Produkteigenschaften

• ALogP: 4

Namen und Kennungen

• Kanonisches Lächeln: CCCCCc1cccc(c1)CC(=O)O
• IUPAC Name: 2-(3-pentylphenyl)acetic acid
• InChIKey: PEGQOIGYZLJMIB-UHFFFAOYSA-N
• INCHI: 1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
• Isomere SMILES: CCCCCC1=CC(=CC=C1)CC(=O)O
• PubChem CID: 24749700
• Molekulargewicht: 206.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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)

GPR84 Tchem G-protein coupled receptor 84 (1 Activities)

Discover Target: GPR84

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

FFAR1 Tchem Free fatty acid receptor 1 (1 Activities)

Discover Target: FFAR1

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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 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: 206.280 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.131 Da
• Monoisotopic Mass: 206.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1002101-19-0, the molecular formula is C13H18O2, and the molecular weight is 206.28 g/mol. InChIKey PEGQOIGYZLJMIB-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.