WS6 - ≥98% , CAS No.1421227-53-3

CAS: 1421227-53-3 Cat. No.: W413752 Peso molecular: 568.59 PubChem CID: 71566751

GRADE & PURITY ≥98%

Synonyms

CCG-270085 | AC-33128 | FT-0745267 | N-(6-(4-(2-((4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide | S7442 | EX-A2182 | N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

WS6 is a β cell proliferation inducer via modulation ofErb3 binding protein-1 (EBP1)and theIκB kinasepathway.

Targets

EBP1 ; IκB kinase

In vitro

WS6 induces R7T1 cell proliferation with EC50 of 0.28 μM, and promotes β cell proliferation in rodent and human primary islets. Both Erb3 binding protein-1 and the IκB kinase pathway are confirmed to function in the mechanism of action of WS6.

In vivo

In RIP-DTA mouse model of β cell ablation, WS6 (50 mg/kg p.o.) ameliorates diabetes, and induces concomitant increases in β cell proliferation and β cell number.

Cell Research(from reference)

Cell lines：R7T1 cells 

Concentrations：~10 μM 

Incubation Time：4 days 

Specifications

Sinónimos

CCG-270085 | AC-33128 | FT-0745267 | N-(6-(4-(2-((4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide | S7442 | EX-A2182 | N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoro

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

WS6 is a β cell proliferation inducer via modulation of Erb3 binding protein-1 (EBP1) and the IκB kinase pathway.WS6 is an inducer of β cell proliferation, thought to act primarily through modulating the activities of the IKB kinase pathway and ErbB3-bind

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772162
• Sonrisas canónicas: CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F
• IUPAC Name: N-[6-[4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
• InChIKey: FTODTDQFHDJWIQ-UHFFFAOYSA-N
• INCHI: 1S/C29H31F3N6O3/c1-37-10-12-38(13-11-37)17-21-6-7-22(15-24(21)29(30,31)32)35-26(39)14-19-2-8-23(9-3-19)41-27-16-25(33-18-34-27)36-28(40)20-4-5-20/h2-3,6-9,15-16,18,20H,4-5,10-14,17H2,1H3,(H,35,39)(H,33,34,36,40)
• Isómeros SMILES: CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 71566751
• Peso molecular: 568.59

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: Trifluoromethylbenzenes Phenylacetamides Anilides Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines N-methylpiperazines Aralkylamines Imidolactams Cyclopropanecarboxylic acids and derivatives Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Trifluoromethylbenzene - Phenylacetamide - Anilide - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-arylamide - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Alkyl halide - Organic oxide - Amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteromonocyclic 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 (no humanos)

Rattus norvegicus (775804 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: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.87 mM); Ethanol: 100 mg/mL (175.87 mM); Water: Insoluble
• Peso molecular: 568.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 568.241 Da
• Monoisotopic Mass: 568.241 Da
• Topological Polar Surface Area: 99.700 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 874.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1