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

CAS: 1286725-49-2 Cat. No.: V647385 Molecular Weight: 384.43 PubChem CID: 52417637

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C=C(C=C1)N2C(=C3CN(CC3=N2)C(=O)C4=NC=CN=C4)N5C=CC=C5)C
• PubChem CID: 52417637
• Molecular Weight: 384.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Solubility: DMSO : 5 mg/mL (13.01 mM; Need ultrasonic and warming)
• Molecular Weight: 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