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

CAS: 300731-73-1 Cat. No.: W418436 Formula: C₁₅H₁₅N₅ Peso molecolare: 265.3131 PubChem CID: 1666392

QUALITÀ & PUREZZA ≥95%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

GRK6 inhibitor; SUMOylation inhibitor;

Specifiche

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Proprietà del prodotto

ALogP

3.006

Conteggio HBD

1

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

528767886

Sorrisi canonici

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

Isomeri SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)N

PubChem CID

1666392

Peso molecolare

265.3131

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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