Inolitazone (RS5444) - Moligand™, ≥97% , CAS No.223132-37-4

CAS: 223132-37-4 Cat. No.: I125074 Peso molecular: 502.58

GRADE & PURITY Moligand™, ≥97%

Synonyms

UNII-M17ILL71MC | CHEBI:168130 | FT-0737589 | 5-[4-[6-(4-amino-3 ,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl]thiazolidine-2,4-dione | Q21083321 | BDBM50450236 | (cis) 3,3,5-trimethylcyclohexanol | 5-(4-{[6-(4-amino-3,5-dimethylphenoxy)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Inolitazone(RS5444; CS-7017) is a novel high-affinity PPARγ agonist, which activates PPARγ with an EC50 about 1/50 that of rosiglitazone and has no effect on RIE cells that do not express PPARγ.

Inolitazone a high-affinity PPARγ agonist. Inolitazone exhibits IC50 for growth inhibition is ~0.8 nM in vitro.

Specifications

Sinónimos

UNII-M17ILL71MC | CHEBI:168130 | FT-0737589 | 5-[4-[6-(4-amino-3 , 5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl]thiazolidine-2, 4-dione | Q21083321 | BDBM50450236 | (cis) 3, 3, 5-trimethylcyclohexanol | 5-(4-{[6-(4-amino-3, 5-dimethylphenoxy)

Especificaciones y pureza

Moligand™, ≥97%

Mecanismos bioquímicos y fisiológicos

The IC50 for growth inhibition is approximately 0.8 nM while anaplastic thyroid carcinoma (ATC) tumor growth was inhibited three- to fourfold in nude mice. siRNA against PPARgamma and a pharmacological antagonist demonstrated that functional PPARgamma was

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.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5
• IUPAC Name: 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• InChIKey: JCYNMRJCUYVDBC-UHFFFAOYSA-N
• INCHI: 1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)
• Isómeros SMILES: CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5
• Peso molecular: 502.58
• Reaxy-Rn: 11503040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11503040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Benzimidazoles Aniline and substituted anilines m-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Thiazolidinediones N-substituted imidazoles Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Amino acids and derivatives Thiocarbamic acid derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Benzimidazole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Xylene - M-xylene - Alkyl aryl ether - Thiazolidinedione - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Imidazole - Thiazolidine - Dicarboximide - Azole - Carbonic acid derivative - Thiocarbamic acid derivative - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (2 Activities)

Discover Target: PPARG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

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: DMSO
• Peso molecular: 502.600 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 502.167 Da
• Monoisotopic Mass: 502.167 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 782.000
• 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