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

CAS: 1286725-49-2 Cat. No.: V647385 Formule: C₂₂H₂₀N₆O Poids moléculaire: 384.43 PubChem CID: 52417637

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• PubChem CID: 52417637
• Poids moléculaire: 384.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 5 mg/mL (13.01 mM; Need ultrasonic and warming)
• Poids moléculaire: 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