WAY-322475 - ≥95% , CAS No.300731-73-1

CAS: 300731-73-1 Cat. No.: W418436 分子式: C₁₅H₁₅N₅ 分子量: 265.3131 PubChem CID: 1666392

GRADE & PURITY ≥95%

Synonyms

2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

GRK6 inhibitor; SUMOylation inhibitor;

Specifications

同義語

2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

仕様と純度

≥95%

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。

純度

≥95%

製品の性質

• ALogP: 3.006
• HBD数: 1
• 回転可能な結合: 3

名前と識別子

• パブケム・シド: 528767886
• カノニカル・スマイル: CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N
• IUPAC Name: 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
• InChIKey: OLICCRYPRZAUNK-UHFFFAOYSA-N
• INCHI: 1S/C15H15N5/c1-2-3-8-20-14(17)10(9-16)13-15(20)19-12-7-5-4-6-11(12)18-13/h4-7H,2-3,8,17H2,1H3
• 異性体SMILES: CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N
• PubChem CID: 1666392
• 分子量: 265.3131

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrrolopyrazines Substituted pyrroles Pyrazines Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrrolopyrazine - Pyrazine - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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（非人間）

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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

• DMSO（mM） 最大溶解度: 10
• 分子量: 265.310 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.133 Da
• Monoisotopic Mass: 265.133 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 389.000
• 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