VU0529331 - ≥99% , CAS No.1286725-49-2

CAS: 1286725-49-2 Cat. No.: V647385 Peso molecular: 384.43 PubChem CID: 52417637

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

VU0529331 is a modestly selective non-GIRK1-containing G protein-gated, inwardly-rectifying, potassium channel ( non-GIRK1/X ) activator, with EC 50 s of 5.1 µM and 5.2 µM for GIRK2 and GIRK1/2 in HEK293 cells, respectively, also effective on GIRK4 homomeric channel

Form:Solid

IC50& Target:EC50: 5.1 µM (GIRK2), 5.2 µM (GIRK1/2)

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

VU0529331 is a modestly selective non-GIRK1-containing G protein-gated, inwardly-rectifying, potassium channel ( non-GIRK1/X ) activator, with EC 50 s of 5.1 µM and 5.2 µM for GIRK2 and GIRK1/2 in HEK293 cells, respectively, also effective on GIRK4 homome

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.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• IUPAC Name: [2-(3,4-dimethylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
• InChIKey: KKICJSSCAYMJOA-UHFFFAOYSA-N
• INCHI: 1S/C22H20N6O/c1-15-5-6-17(11-16(15)2)28-21(26-9-3-4-10-26)18-13-27(14-20(18)25-28)22(29)19-12-23-7-8-24-19/h3-12H,13-14H2,1-2H3
• Isómeros SMILES: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• PubChem CID: 52417637
• Peso molecular: 384.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazinecarboxamides o-Xylenes Pyrrolopyrazoles 2-heteroaryl carboxamides Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Pyrrolopyrazole - Xylene - O-xylene - Pyrazine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 5 mg/mL (13.01 mM; Need ultrasonic and warming)
• Peso molecular: 384.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 384.17 Da
• Monoisotopic Mass: 384.17 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 596.000
• 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