Rosiglitazone HCl - ≥99% , CAS No.302543-62-0

CAS: 302543-62-0 Cat. No.: R129769 Peso molecular: 393.89 PubChem CID: 9865387

GRADE & PURITY ≥99%

Synonyms

5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione hydrochloride | SCHEMBL3375739 | Q27288508 | 5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)benzyl)-thiazolidine-2,4-dione hydrochloride | 5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2, 4-dione hydrochloride | SCHEMBL3375739 | Q27288508 | 5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)benzyl)-thiazolidine-2, 4-dione hydrochloride | 5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)

Especificaciones y pureza

≥99%

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.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504765007
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765007
• Sonrisas canónicas: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.Cl
• IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
• InChIKey: XRSCTTPDKURIIJ-UHFFFAOYSA-N
• INCHI: 1S/C18H19N3O3S.ClH/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h2-9,15H,10-12H2,1H3,(H,20,22,23);1H
• Isómeros SMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.Cl
• PubChem CID: 9865387
• Peso molecular: 393.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Dialkylarylamines Thiazolidinediones Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Thiazolidinedione - Monocyclic benzene moiety - Pyridine - Imidolactam - Dicarboximide - Heteroaromatic compound - Thiazolidine - Thiocarbamic acid derivative - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

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

KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)

Discover Target: KEAP1

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

Objetivos asociados (no humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 79 mg/mL Water <1 mg/mL Ethanol 79 mg/mL
• Peso molecular: 393.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 393.091 Da
• Monoisotopic Mass: 393.091 Da
• Topological Polar Surface Area: 96.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Li Tao, Yu-Feng Xue, Fei-Fei Sun, Xue He, Hong-Qian Wang, Cheng-Cheng Tong, Cheng Zhang, De-Xiang Xu, Xi Chen.  (2024)  MitoQ protects against carbon tetrachloride-induced hepatocyte ferroptosis and acute liver injury by suppressing mtROS-mediated ACSL4 upregulation.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:38522585] [10.1016/j.taap.2024.116914]