Balaglitazone - ≥98% , Peroxisome proliferator-activated receptor gamma partial agonist, CAS No.199113-98-9, Peroxisome proliferator-activated receptor gamma partial agonist

CAS: 199113-98-9 Cat. No.: B125827 Peso molecular: 395.43

GRADE & PURITY ≥98%

Synonyms

DRF2593 | NN 2344 | (+-)-5-(p-((3,4-Dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy)benzyl)-2,4-thiazolidinedione | UNII-4M1609828O | DRF 2593 | DRF-2593 | AS-63961 | SB16864 | 4-tert-butyl-phenylsulphonyl chloride | NNC-61-2344 | FT-0766930 | IETKPTYAGKZLK

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DRF2593 | NN 2344 | (+-)-5-(p-((3, 4-Dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy)benzyl)-2, 4-thiazolidinedione | UNII-4M1609828O | DRF 2593 | DRF-2593 | AS-63961 | SB16864 | 4-tert-butyl-phenylsulphonyl chloride | NNC-61-2344 | FT-0766930 | IETKPTYAGKZLK

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Description:
IC50 Value: N/A
Balaglitazone (DRF-2593) is a novel partial agonist of PPAR-gamma (γ), which is developed by Dr. Reddy's laboratories India. Balaglitazone is a second generation peroxisome proliferator-act

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.

Tipo de acción

PARTIAL AGONIST

Mecanismo de acción

Peroxisome proliferator-activated receptor gamma partial agonist

Pureza

≥98%

Propiedades del producto

• ALogP: 2.7

Nombres e identificadores

• Sonrisas canónicas: CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
• IUPAC Name: 5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• InChIKey: IETKPTYAGKZLKY-UHFFFAOYSA-N
• INCHI: 1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
• Isómeros SMILES: CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
• Peso molecular: 395.43
• Reaxy-Rn: 11343664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Phenoxy compounds Phenol ethers Thiazolidinediones Pyrimidones Alkyl aryl ethers Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Dicarboximide - Heteroaromatic compound - Thiazolidine - Lactam - Thiocarbamic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 25°C: DMSO
• Peso molecular: 395.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 395.094 Da
• Monoisotopic Mass: 395.094 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 674.000
• 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