EMT inhibitor-1 - ≥99% , CAS No.1638526-21-2

CAS: 1638526-21-2 Cat. No.: E649856 Fórmula: C₁₂H₁₂Cl₂N₂O₂S Peso molecular: 319.21 PubChem CID: 90718214

GRAU & PUREZA ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

EMT inhibitor-1 is an inhibitor of of Hippo , TGF-β , and Wnt signaling pathways with antitumor activities.

In Vitro

EMT inhibitor-1 (C19) (0-10μM; 24 hours) is an inhibitor of of Hippo, TGF-β, and Wnt signaling pathways with antitumor activities, inhibiting cancer cell migration, proliferation, and resistance to doxorubicin in vitro. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

EMT inhibitor-1 (C19) (intraperitoneal injection; 5-20 mg/kg) exerts strong antitumor activity in a mouse tumor model. Mechanistically, EMT inhibitor-1 induces GSK3-β–mediated degradation of the Hippo transducer TAZ, through activation of the Hippo kinases Mst/Lats and the tumor suppressor kinase AMPK upstream of the degradation complex .C19 is dissolved in the vehicle solution (100 μL of DMEM containing 5% dimethyl sulfoxide). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Hippo, TGF-β, Wnt

Especificações

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

EMT inhibitor-1 is an inhibitor of of Hippo , TGF-β , and Wnt signaling pathways with antitumor activities.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=C(C=C1C2=NSN=C2OCCCCO)Cl)Cl

IUPAC Name

4-[[4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol

InChIKey

FWMUIOJZHOPPDX-UHFFFAOYSA-N

INCHI

1S/C12H12Cl2N2O2S/c13-9-4-3-8(7-10(9)14)11-12(16-19-15-11)18-6-2-1-5-17/h3-4,7,17H,1-2,5-6H2

SMILES isoméricas

C1=CC(=C(C=C1C2=NSN=C2OCCCCO)Cl)Cl

PubChem CID

90718214

Peso molecular

319.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Alkyl aryl ethers Aryl chlorides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Organoheterocyclic compound - Ether - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 100 mg/mL (313.27 mM)
• Peso molecular: 319.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 318 Da
• Monoisotopic Mass: 318 Da
• Topological Polar Surface Area: 83.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 276.000
• 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