Risarestat - Moligand™,≥98% , CAS No.79714-31-1

CAS: 79714-31-1 Cat. No.: R647182 Peso molecular: 323.41 PubChem CID: 133264

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-[3-ethoxy-4-(pentyloxy)phenyl]-2,4-thiazolidinedione | SCHEMBL1814433 | HY-16433 | CAS-79714-31-1 | Q27088451 | Risarestat | MS-24804 | 5-(3-Ethoxy-4-(pentyloxy)phenyl)-2,4-thiazolidinedione | 5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione | Q2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Risarestat (CT-112), an aldose reductase inhibitor, is developed for the treatment of diabetic complications.

Specifications

Sinónimos

5-[3-ethoxy-4-(pentyloxy)phenyl]-2, 4-thiazolidinedione | SCHEMBL1814433 | HY-16433 | CAS-79714-31-1 | Q27088451 | Risarestat | MS-24804 | 5-(3-Ethoxy-4-(pentyloxy)phenyl)-2, 4-thiazolidinedione | 5-(3-ethoxy-4-pentoxyphenyl)-1, 3-thiazolidine-2, 4-dione | Q2

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Risarestat (CT-112), an aldose reductase inhibitor, is developed for the treatment of diabetic complications.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCOC1=C(C=C(C=C1)C2C(=O)NC(=O)S2)OCC
• IUPAC Name: 5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione
• InChIKey: CRPGRUONUFDYBG-UHFFFAOYSA-N
• INCHI: 1S/C16H21NO4S/c1-3-5-6-9-21-12-8-7-11(10-13(12)20-4-2)14-15(18)17-16(19)22-14/h7-8,10,14H,3-6,9H2,1-2H3,(H,17,18,19)
• Isómeros SMILES: CCCCCOC1=C(C=C(C=C1)C2C(=O)NC(=O)S2)OCC
• CAS alternativo: 79714-31-1
• PubChem CID: 133264
• Términos de entrada MeSH: 5-(3-ethoxy-4-pentyloxyphenyl)-2,4-thiazolidinedione;CT 112;CT-112;risarestat
• Peso molecular: 323.41

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 Thiazolidinediones Alkyl aryl ethers Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Carbonic acid derivative - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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 (no humanos)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 105 mg/mL (324.67 mM; Need ultrasonic)
• Peso molecular: 323.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 323.119 Da
• Monoisotopic Mass: 323.119 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 390.000
• 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: 1