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 Summenformel: C₂₀H₁₇N₃O₄S Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

PARTIAL AGONIST

Mechanismus der Wirkung

Peroxisome proliferator-activated receptor gamma partial agonist

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.7

Namen und Kennungen

• Pubchem Sid: 528771617
• Kanonisches Lächeln: 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)
• Isomere SMILES: CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
• Molekulargewicht: 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
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 25°C: DMSO
• Molekulargewicht: 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