VU0810464 - Moligand™, ≥98% , Activator of K ir3.1, CAS No.2126040-21-7, Activator of K ir3.1

CAS: 2126040-21-7 Cat. No.: V412525 Molecular Weight: 349.83 PubChem CID: 146014436

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Information

VU0810464 is a potent and selective activator of non-ureaG protein-gated inwardly-rectifying potassium channels (GIRK/Kir3). VU0810464 displays nanomolar potency for neuronal with EC50 of 165 nM and GIRK1/4 with EC50 of 720 nM channels with improved brain penetration.

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

VU0810464 is a potent and selective activator of non-ureaG protein-gated inwardly-rectifying potassium channels (GIRK/Kir3). VU0810464 displays nanomolar potency for neuronal with EC50 of 165 nM and GIRK1/4 with EC50 of 720 nM channels with improved brain

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of K ir3.1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=NN(C(=C1)NC(=O)CC2=CC(=C(C=C2)F)Cl)C3CCCCC3
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
• InChIKey: HNJJARDABGKWSO-UHFFFAOYSA-N
• INCHI: 1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,24)
• Isomeric SMILES: CC1=NN(C(=C1)NC(=O)CC2=CC(=C(C=C2)F)Cl)C3CCCCC3
• PubChem CID: 146014436
• Molecular Weight: 349.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-arylamides Fluorobenzenes Chlorobenzenes Heteroaromatic compounds Azoles Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-arylamide - Halobenzene - Fluorobenzene - Chlorobenzene - Heteroaromatic compound - Azole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

Associated Targets(Human)

KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (0 Activities)

Discover Target: KCNJ3

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

KCNJ3 Tchem Kir3.1/Kir3.4 (583 Activities)

Discover Target: KCNJ3

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 349.800 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 349.136 Da
• Monoisotopic Mass: 349.136 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 432.000
• 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