SC144 - ≥98% , CAS No.895158-95-9

CAS: 895158-95-9 Cat. No.: S129564 Fórmula: C₁₆H₁₁FN₆O Peso molecular: 322.3 PubChem CID: 400169

GRAU & PUREZA ≥98%

Synonyms

N'-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)pirazina-2-carbohidrazida | ácido 2-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)hidrazida-2-pirazinocarboxílico | ácido 2-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)hidrazida

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O cloridrato de SC144 foi utilizado como inibidor da glicoproteína 130 (gp130) para avaliar o efeito do bazedoxifeno na viabilidade celular mediada pela interleucina (IL-6) em células de cancro do pâncreas como inibidor da gp130 para estudar os seus efeitos na ativação do transdutor de sinal e ativador da transcrição 3 (STAT3) em células precursoras mesenquimais (KMM) como inibidor do transdutor de sinal da interleucina 6 (IL-6ST) em meios para testar a sua capacidade de bloquear a migração/invasão induzida pelo soro

Especificações

Sinónimos

N'-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)pirazina-2-carbohidrazida | ácido 2-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)hidrazida-2-pirazinocarboxílico | ácido 2-(7-fluoropirrolo[1,2-a]quinoxalin-4-il)hidrazida

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

O SC144 é um inibidor potente da glicoproteína 130 (gp130). O SC144 liga-se à gp130 e bloqueia a fosforilação do STAT3, a translocação nuclear e a expressão dos genes que respondem ao STAT3. O SC144 inibe o crescimento de várias linhas celulares tumorais,

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504758634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758634

Sorrisos canónicos

C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4

IUPAC Name

N'-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide

InChIKey

UEADAWQSJOWXBK-UHFFFAOYSA-N

INCHI

1S/C16H11FN6O/c17-10-3-4-13-11(8-10)20-15(14-2-1-7-23(13)14)21-22-16(24)12-9-18-5-6-19-12/h1-9H,(H,20,21)(H,22,24)

SMILES isoméricas

C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4

PubChem CID

400169

Peso molecular

322.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Pyrroloquinoxalines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Pyrroloquinoxalines
• Alternative Parents: Pyrrolopyrazines Pyrazinecarboxamides Imidolactams Benzenoids Aryl fluorides Pyrroles Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrroloquinoxaline - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Pyrrolopyrazine - Aryl fluoride - Aryl halide - Pyrazine - Imidolactam - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrroloquinoxalines. These are organic heterocyclic compounds containing a pyrrole ring fused to a quinoxaline ring system.
• 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

Alvos associados (humanos)

HT-29 (80576 Activities)

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HCT-116 (91556 Activities)

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LNCaP (8286 Activities)

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MDA-MB-435 (38290 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO 28 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecular: 322.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 322.098 Da
• Monoisotopic Mass: 322.098 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 466.000
• 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