1-(4-Fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine - ≥95% , CAS No.374922-43-7

CAS: 374922-43-7 Cat. No.: C274737 Peso molecular: 418.44

GRADE & PURITY ≥95%

Synonyms

SCHEMBL3483653 | ZPA92243 | Oprea1_667095 | SIRT1 Activator II | BDBM50193077 | F1204 | BCP32626 | MFCD02236691 | STL303186 | 3-(benzenesulfonyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxalin-2-amine | AKOS016397864 | DTXSID00365601 | CAY-10602; CAY 10602 |

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

A cell-permeable pyrroloquinoxaline compound that acts as a reversible SIRT1 activator (10 µM causes ~2.3-fold fluorescent enhancement in a fluorescent assay using hrSIRT1) and enhances fat mobilization in fully differentiated 3T3L1 fibroblasts. Shown to inhibit LPS-induced TNF-α release in THP-1 cells by ~10-fold more potent than resveratrol

Specifications

Sinónimos

SCHEMBL3483653 | ZPA92243 | Oprea1_667095 | SIRT1 Activator II | BDBM50193077 | F1204 | BCP32626 | MFCD02236691 | STL303186 | 3-(benzenesulfonyl)-1-(4-fluorophenyl)pyrrolo[3, 2-b]quinoxalin-2-amine | AKOS016397864 | DTXSID00365601 | CAY-10602; CAY 10602 |

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

SIRT1 Activator. Suppresses NF-κB-dependent induction of TNF-α by LPS (IC 70 = 60 μM, THP-1 cells). Upregulates PPARδ-mediated transcription in ECs.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

ACTIVATOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504760653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760653
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)F)N
• IUPAC Name: 3-(benzenesulfonyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxalin-2-amine
• InChIKey: CSFVFDHRYKBBPD-UHFFFAOYSA-N
• INCHI: 1S/C22H15FN4O2S/c23-14-10-12-15(13-11-14)27-21(24)20(30(28,29)16-6-2-1-3-7-16)19-22(27)26-18-9-5-4-8-17(18)25-19/h1-13H,24H2
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)F)N
• Peso molecular: 418.44
• Reaxy-Rn: 33537479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33537479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Quinoxalines Pyrrolopyrazines Benzenesulfonyl compounds Fluorobenzenes Pyrazines Aryl fluorides Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - Diazanaphthalene - Quinoxaline - Benzenesulfonyl group - Pyrrolopyrazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Sulfonyl - Sulfone - Azacycle - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Objetivos asociados (humanos)

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 25 mM
• Sensibilidad: light & heat sensitive
• Punto de fusión (°C): 270 °C
• Peso molecular: 418.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 418.09 Da
• Monoisotopic Mass: 418.09 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 702.000
• 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