Aurora inhibitor 1 , CAS No.2227019-45-4

CAS: 2227019-45-4 Cat. No.: A1425946 PubChem CID: 51003133

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Aurora inhibitor 1 is a potent Aurora inhibitor with an IC 50 of ≤ 4 nM and ≤13 nM for Aurora A and Aurora B kinase, respectively.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CC1=CN2C(=CN=C2C(=N1)NC3=CC(=NS3)C(C4=CC=CC=N4)NC(C)(C)C)C5=CNN=C5
• IUPAC Name: 3-[(tert-butylamino)-pyridin-2-ylmethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• InChIKey: QTTGVGLTCILDCA-UHFFFAOYSA-N
• INCHI: 1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29)
• Isómeros SMILES: CC1=CN2C(=CN=C2C(=N1)NC3=CC(=NS3)C(C4=CC=CC=N4)NC(C)(C)C)C5=CNN=C5
• PubChem CID: 51003133

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: Aralkylamines Aminopyrazines Pyridines and derivatives N-substituted imidazoles Imidolactams Aminothiazoles Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Aminopyrazine - Aralkylamine - 1,2-thiazolamine - N-substituted imidazole - Pyrazine - Imidolactam - Pyridine - Azole - Imidazole - Heteroaromatic compound - Pyrazole - Thiazole - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
• 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