PK 11195 - Moligand™,≥99% , CAS No.85532-75-8

CAS: 85532-75-8 Cat. No.: P1421761 Peso molecular: 352.86 PubChem CID: 1345

GRADE & PURITY Moligand™, ≥99%

Synonyms

RP 52028

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PK 11195 (RP 52028) is a ligand of translocator protein (TSPO) , which targets Leishmania chemotherapy, with IC 50 s of 14.2 μM, 8.2 μM, 3.5 μM for L. amazonensis , L. major and L. braziliensis , respectively.

PK 11195 has been used as an inhibitor of peripheral benzodiazepine receptor (PBR) homologs in primitive erythrocytes of embryos and in osteosarcoma cytoplasmic hydrids.It has also been used as an unlabelled competitive binder in in vitro autoradiography experiments in cardiac tissue sections.

Specifications

Sinónimos

RP 52028

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

PK 11195 is a peripheral benzodiazepine antagonist. It is also an antagonist for human constitutive androstane receptor (hCAR) and human pregnane X receptor (PXR). In human primary hepatocytes, PK 11195 upon demethylation elicits agonist functionality tow

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
• IUPAC Name: N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
• InChIKey: RAVIZVQZGXBOQO-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
• Isómeros SMILES: CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
• WGK Alemania: 3
• PubChem CID: 1345
• Peso molecular: 352.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Isoquinolines and derivatives Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Isoquinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: monocarboxylic acid amide - monochlorobenzenes - aromatic amide - isoquinolines

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