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

CAS: 79714-31-1 Cat. No.: R647182 Formule: C₁₆H₂₁NO₄S Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

Moligand™,≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

CCCCCOC1=C(C=C(C=C1)C2C(=O)NC(=O)S2)OCC

CAS alternatif

79714-31-1

PubChem CID

133264

Termes d'entrée MeSH

5-(3-ethoxy-4-pentyloxyphenyl)-2,4-thiazolidinedione;CT 112;CT-112;risarestat

Poids moléculaire

323.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 105 mg/mL (324.67 mM; Need ultrasonic)
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79714-31-1, the molecular formula is C16H21NO4S, and the molecular weight is 323.41 g/mol. InChIKey CRPGRUONUFDYBG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.