HI TOPK 032 - ≥98% , CAS No.487020-03-1

CAS: 487020-03-1 Cat. No.: H288486 Peso molecular: 369.4 Número EC: 806-165-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL15270774 | NCGC00379159-05 | 2-Thiophenecarboxamide, N-(12-cyanoindolizino(2,3-b)quinoxalin-2-yl)- | N-(12-Cyanoindolizino(2,3-b)quinoxalin-2-yl)-2-thiophenecarboxamide | HI TOPK 032 | N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

HI-TOPK-032 is a potent and specific TOPK inhibitor.

Specifications

Sinónimos

SCHEMBL15270774 | NCGC00379159-05 | 2-Thiophenecarboxamide, N-(12-cyanoindolizino(2, 3-b)quinoxalin-2-yl)- | N-(12-Cyanoindolizino(2, 3-b)quinoxalin-2-yl)-2-thiophenecarboxamide | HI TOPK 032 | N-(12-cyanoindolizino[2, 3-b]quinoxalin-2-yl)thiophene-2-carboxa

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

T-LAK-cell-originated protein kinase (TOPK) inhibitor; exhibits selectivity for TOPK over other MAPKK family members including ERK1, JNK1 and p38. Blocks proliferation of HCT116 colon cancer cells; suppresses tumor growth in a colon cancer xenograft model

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192023
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192023
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N
• IUPAC Name: N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide
• InChIKey: BCSBXWKRZUPFHW-UHFFFAOYSA-N
• INCHI: 1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26)
• Isómeros SMILES: C1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N
• Peso molecular: 369.4
• Reaxy-Rn: 24124471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24124471&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrrolopyrazines Indolizines Thiophene carboxamides 2-heteroaryl carboxamides Substituted pyrroles Pyridines and derivatives Pyrazines Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Indolizine - Pyrrolopyrazine - Pyrrolopyridine - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Pyrazine - Pyridine - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 7.39, Max Conc. mM: 20
• Peso molecular: 369.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 369.068 Da
• Monoisotopic Mass: 369.068 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 635.000
• 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