AZD-26 - ≥98% , CAS No.1357158-81-6

CAS: 1357158-81-6 Cat. No.: A412344 分子式: C₂₂H₂₁N₃O 分子量: 343.43

GRADE & PURITY ≥98%

Synonyms

AKT-IN-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

AZD-26 (AKT-IN-1) is an allosteric inhibitor of AKT with IC50 of 1.042 μM.

Specifications

同義語

AKT-IN-1

仕様と純度

≥98%

生化学的・生理学的メカニズム

AZD-26 (AKT-IN-1) is an allosteric inhibitor of AKT with IC50 of 1.042 μM.

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。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528763203
• カノニカル・スマイル: C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C(C=N3)C(=O)N)C4=CC=CC=C4)N
• IUPAC Name: 6-[4-(1-aminocyclobutyl)phenyl]-5-phenylpyridine-3-carboxamide
• InChIKey: GIRZDHCBMNHMEH-UHFFFAOYSA-N
• INCHI: 1S/C22H21N3O/c23-21(26)17-13-19(15-5-2-1-3-6-15)20(25-14-17)16-7-9-18(10-8-16)22(24)11-4-12-22/h1-3,5-10,13-14H,4,11-12,24H2,(H2,23,26)
• 異性体SMILES: C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C(C=N3)C(=O)N)C4=CC=CC=C4)N
• 分子量: 343.43
• Reaxy-Rn: 22339921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22339921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Nicotinamides Aralkylamines Benzene and substituted derivatives Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - 2-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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）

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

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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: 343.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 343.168 Da
• Monoisotopic Mass: 343.168 Da
• Topological Polar Surface Area: 82.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 490.000
• 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