SC144 - ≥98% , CAS No.895158-95-9

CAS: 895158-95-9 Cat. No.: S129564 分子式: C₁₆H₁₁FN₆O 分子量: 322.3 PubChem CID: 400169

グレード＆純度 ≥98%

Synonyms

N'-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide | 2-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)hydrazide-2-pyrazinecarboxylic acid | 2-Pyrazinecarboxylic acid, 2-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)hydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

SC144 hydrochloride has been used: as a glycoprotein 130 (gp130) inhibitor to evaluate the effect of bazedoxifene on interleukin (IL-6) mediated cell viability in pancreatic cancer cells as a gp130 inhibitor to study its effects on signal transducer and activator of transcription 3 (STAT3) activation in mesenchymal precursor cells (KMM) cells as an interleukin 6 signal transducer (IL-6ST) inhibitor in media to test its ability to block serum-induced migration/invasion

仕様

同義語

N'-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide | 2-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)hydrazide-2-pyrazinecarboxylic acid | 2-Pyrazinecarboxylic acid, 2-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)hydrazide

仕様と純度

≥98%

生化学的・生理学的メカニズム

SC144 is a potent inhibitor of glycoprotein 130 (gp130). SC144 binds to gp130 and blocks STAT3 phosphorylation, nuclear translocation and expression of STAT3 responsive genes. SC144 inhibits the growth of several tumor cell lines, independent of p53 or ho

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

≥98%

名前と識別子

パブケム・シド

504758634

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

400169

分子量

322.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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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関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO 28 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• 分子量: 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