ácido 4′-[[(1-oxopentil)fenilamino]metil]-[1,1′-bifenil]-2-carboxílico - Moligand™ , Agonist of BLT 2 receptor, CAS No.862891-27-8, Agonist of BLT 2 receptor

CAS: 862891-27-8 Cat. No.: O353431 Peso molecular: 387.47

GRADE & PURITY Moligand™

Synonyms

HY-122124 | 4'-{[Pentanoyl(phenyl)amino]methyl}[1,1'-biphenyl]-2-carboxylic acid | SCHEMBL3126345 | 4'-[[(1-oxopentyl)phenylamino]methyl]-[1,1'-biphenyl]-2-carboxylic acid | DTXSID40680163 | CHEBI:183836 | IUJTVDNJFPZYBL-UHFFFAOYSA-N | Q27075748 | 4'-[(N-

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

el ácido 4'-[[(1-oxopentil)fenilamino]metil]-[1,1'-bifenil]-2-carboxílico es un potente agonista completo selectivo de BLT2 (EC|50|= 20 nM). No desplaza la unión de [3H]-LTB4 a BLT1 a concentraciones >1 μM y activa BLT2 a concentraciones significativamente menores que LTB|4|(EC|50|= 170 nM). el ácido 4'-[[(1-oxopentil)fenilamino]metil]-[1,1'-bifenil]-2-carboxílico aumenta las reservas intracelulares de calcio de forma dosis-dependiente, e induce la fosforilación de ERK en células de ovario de hámster chino (CHO) que expresan BLT2, sin efecto alguno sobre las células CHO que expresan BLT1.

Specifications

Sinónimos

HY-122124 | 4'-{[Pentanoyl(phenyl)amino]methyl}[1, 1'-biphenyl]-2-carboxylic acid | SCHEMBL3126345 | 4'-[[(1-oxopentyl)phenylamino]methyl]-[1, 1'-biphenyl]-2-carboxylic acid | DTXSID40680163 | CHEBI:183836 | IUJTVDNJFPZYBL-UHFFFAOYSA-N | Q27075748 | 4'-[(N-

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of BLT 2 receptor

Nombres e identificadores

• Sonrisas canónicas: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3
• IUPAC Name: 2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
• InChIKey: IUJTVDNJFPZYBL-UHFFFAOYSA-N
• INCHI: 1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)
• Isómeros SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3
• Peso molecular: 387.47
• Reaxy-Rn: 12809370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12809370&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoic acids Anilides Benzoyl derivatives Tertiary carboxylic acid amides Tertiary amines Amino acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - Tertiary carboxylic acid amide - Amino acid - Tertiary amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

LTB4R2 Tchem Leukotriene B4 receptor 2 (4 Activities)

Discover Target: LTB4R2

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

LTB4R Tchem Leukotriene B4 receptor 1 (1083 Activities)

Discover Target: LTB4R

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

LTB4R2 Tchem Leukotriene B4 receptor 2 (146 Activities)

Discover Target: LTB4R2

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

HCT-116 (91556 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: 387.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 387.183 Da
• Monoisotopic Mass: 387.183 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 520.000
• 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