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 分子式: C₁₈H₂₁ClFN₃O 分子量: 349.83 PubChem CID: 146014436

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ACTIVATOR

作用メカニズム

Activator of K ir3.1

純度

≥98%

名前と識別子

• パブケム・シド: 508811123
• カノニカル・スマイル: 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)
• 異性体SMILES: CC1=NN(C(=C1)NC(=O)CC2=CC(=C(C=C2)F)Cl)C3CCCCC3
• PubChem CID: 146014436
• 分子量: 349.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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