GQ-16 - Moligand™, ≥98% , CAS No.870554-67-9

CAS: 870554-67-9 Cat. No.: G340763 Peso molecular: 418.30

GRADE & PURITY Moligand™, ≥98%

Synonyms

5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2,4-thiazolidinedione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

GQ-16 is a moderate affinity ligand for the ligand-binding domain (LBD) of PPARγ, exhibiting a Ki of 160 nM. GQ-16 is an effective inhibitor of Cdk5-mediated phosphorylation of PPARγ. GQ-16 is a partial agonist of PPARγ with reduced adipogenic actions. GQ-16 promotes insulin Sensitization without weight gain.

Specifications

Sinónimos

5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2, 4-thiazolidinedione

Especificaciones y pureza

Moligand™, ≥98%

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.

Grado

Moligand™

Tipo de acción

MODULATOR

Pureza

≥98%

Propiedades del producto

• Datos Ki: PPARγ: Ki= 160 nM

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OC)SC2=O
• IUPAC Name: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
• InChIKey: AMLZLORVKZAHOH-YVLHZVERSA-N
• INCHI: 1S/C19H16BrNO3S/c1-12-3-5-13(6-4-12)11-21-18(22)17(25-19(21)23)10-14-9-15(20)7-8-16(14)24-2/h3-10H,11H2,1-2H3/b17-10-
• Isómeros SMILES: CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/SC2=O
• Peso molecular: 418.30
• Reaxy-Rn: 39181051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39181051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Thiazolidinediones Bromobenzenes Alkyl aryl ethers Aryl bromides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxybenzene - Phenoxy compound - Anisole - Halobenzene - Bromobenzene - Thiazolidinedione - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: Soluble in DMSO (~0.33 mg/ml), and DMF (~5 mg/ml).
• Índice de refracción: n20D1.69 (Predicted)
• Punto de ebullición (°C): 549.81° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 250.36° C (Predicted)
• Peso molecular: 418.300 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 417.003 Da
• Monoisotopic Mass: 417.003 Da
• Topological Polar Surface Area: 71.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 545.000
• 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

Referencias

1. Yihui Ma, Fangli Zhang, Kun Chen, Yue Zhou, Zhaohui Wang, Zhaoliang Cui.  (2025)  Preparation of the ECTFE/SiO2 Hybrid Membrane and Its Application in Membrane Condensation.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c04773]