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 Peso molecular: 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,Cool

Shipped In

Normal

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Grado

Moligand™

Tipo de acción

AGONIST, ANTAGONIST

Mecanismo de acción

G-protein coupled receptor 84 antagonist

Pureza

≥95%

Propiedades del producto

• ALogP: 4

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: CCCCCC1=CC(=CC=C1)CC(=O)O
• PubChem CID: 24749700
• Peso molecular: 206.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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