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

CAS: 1638526-21-2 Cat. No.: E649856 分子式: C₁₂H₁₂Cl₂N₂O₂S 分子量: 319.21 PubChem CID: 90718214

グレード＆純度 ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

仕様

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

90718214

分子量

319.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : ≥ 100 mg/mL (313.27 mM)
• 分子量: 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