GS 143 - ≥98%(HPLC) , CAS No.916232-21-8

CAS: 916232-21-8 Cat. No.: G288221 Summenformel: C₂₈H₁₉FN₂O₄ Molekulargewicht: 466.46

QUALITÄT & REINHEIT Moligand™, ≥98%, Mixture of isomers

Synonyms

4-[4-[[5-(2-Fluorophenyl)-2-furanyl]methylene]-4,5-dihydro-5-oxo-3-(phenylmethyl)-1H-pyrazol-1-yl]benzoic acid | 4-(3-Benzyl-4-(5-(2-fluoro-phenyl)-furan-2-ylmethylene)-5-oxo-4,5-dihydropyrazol-1-yl)-benzoic acid | 4-(3-Benzyl-4-((5-(2-fluorophenyl)furan-

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

GS143 ist ein selektiver Inhibitor der IκBα-Ubiquitinierung mit einer IC50 von 5,2 μM für SCFβTrCP1-vermittelte IκBα-Ubiquitinierung. GS143 unterdrückt die NF-κB-Aktivierung und die Transkription von Zielgenen. GS143 zeigt eine Anti-Asthma-Wirkung.

Spezifikationen

Synonyme

4-[4-[[5-(2-Fluorophenyl)-2-furanyl]methylene]-4,5-dihydro-5-oxo-3-(phenylmethyl)-1H-pyrazol-1-yl]benzoic acid | 4-(3-Benzyl-4-(5-(2-fluoro-phenyl)-furan-2-ylmethylene)-5-oxo-4,5-dihydropyrazol-1-yl)-benzoic acid | 4-(3-Benzyl-4-((5-(2-fluorophenyl)furan-

Spezifikationen & Reinheit

Moligand™, ≥98%, Mixture of isomers

Biochemische und physiologische Mechanismen

β-TrCP1-Ligase-Inhibitor. Hemmt die IκBα-Ubiquitinierung (IC50= 5,2μM) ohne Beeinträchtigung der Proteasom-Aktivität. Blockiert die LPS-induzierte Expression von inflammatorischen Zytokinen in menschlichen myelomonozytären Zellen. Unterdrückt die Antigen-

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Product Line

G288221-5mg

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)CC2=NN(C(=O)C2=CC3=CC=C(O3)C4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)O

IUPAC Name

4-[(4E)-3-benzyl-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid

InChIKey

IZPMWFSVTDOCDI-HAVVHWLPSA-N

INCHI

1S/C28H19FN2O4/c29-24-9-5-4-8-22(24)26-15-14-21(35-26)17-23-25(16-18-6-2-1-3-7-18)30-31(27(23)32)20-12-10-19(11-13-20)28(33)34/h1-15,17H,16H2,(H,33,34)/b23-17+

Isomere SMILES

C1=CC=C(C=C1)CC\2=NN(C(=O)/C2=C/C3=CC=C(O3)C4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)O

Molekulargewicht

466.46

Reaxy-Rn

13103224

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13103224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives Fluorobenzenes Pyrazolones Aryl fluorides Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Pyrazolinone - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrazoline - Furan - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 46.65, Max Conc. mM: 100
• Molekulargewicht: 466.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 466.133 Da
• Monoisotopic Mass: 466.133 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 844.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1