ASP2905 - Moligand™, ≥98% , CAS No.792184-90-8

CAS: 792184-90-8 Cat. No.: A648825 分子式: C₂₀H₁₇FN₈ 分子量: 388.40 PubChem CID: 46913817

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

ASP2905 is a potent and selective potassium channel Kv12.2 inhibitor encoded by the Kcnh3/BEC1 gene. ASP2905 can cross the blood-brain barrier and has antipsychotic activities.

In Vivo

ASP2905 treatment inhibits hyperlocomotion induced by Phencyclidine. And significantly ameliorates Phencyclidine-induced prolongation of immobility time in mice subjected to the forced swimming test. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male ddY mice (aged 4-5 weeks) injected with Phencyclidine hydrochloride (PCP)Dosage: 0.01 mg/kg, 0.03 mg/kg, 0.1 mg/kg, 0.3 mg/kg Administration: Oral administration; once Result: Inhibited hyperlocomotion induced by Phencyclidine.

Form:Solid

Specifications

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

ASP2905 is a potent and selective potassium channel Kv12.2 inhibitor encoded by the Kcnh3/BEC1 gene. ASP2905 can cross the blood-brain barrier and has antipsychotic activities.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528763154
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528763154
• カノニカル・スマイル: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCC3=NC=CC=N3)NC4=CC=C(C=C4)F
• IUPAC Name: 2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
• InChIKey: APYUZVKHUKMAIJ-UHFFFAOYSA-N
• INCHI: 1S/C20H17FN8/c21-14-7-9-16(10-8-14)26-20-28-18(24-13-17-22-11-4-12-23-17)27-19(29-20)25-15-5-2-1-3-6-15/h1-12H,13H2,(H3,24,25,26,27,28,29)
• 異性体SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCC3=NC=CC=N3)NC4=CC=C(C=C4)F
• PubChem CID: 46913817
• MeSH用語: ASP2905;N-(4-fluorophenyl)-N'-phenyl-N'-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
• 分子量: 388.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary alkylarylamines N-aliphatic s-triazines Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Aryl fluoride - Aryl halide - Pyrimidine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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）

KCNH3 Tclin Potassium voltage-gated channel subfamily H member 3 (2 Activities)

Discover Target: KCNH3

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

• 溶解度: DMSO : 100 mg/mL (257.47 mM; Need ultrasonic)
• 分子量: 388.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 388.156 Da
• Monoisotopic Mass: 388.156 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 463.000
• 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