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

CAS: 1638526-21-2 Cat. No.: E649856 Molecular Weight: 319.21 PubChem CID: 90718214

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1C2=NSN=C2OCCCCO)Cl)Cl
• PubChem CID: 90718214
• Molecular Weight: 319.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (313.27 mM)
• Molecular Weight: 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