TED-347 - ≥98% , CAS No.2378626-29-8

CAS: 2378626-29-8 Cat. No.: T414291 分子式: C₁₅H₁₁ClF₃NO 分子量: 313.7 PubChem CID: 137796964

GRADE & PURITY ≥98%

Synonyms

Ethanone,2-​chloro-​1-​[2-​[[3-​(trifluoromethyl)​phenyl]​amino]​phenyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

TED-347 TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction . TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.

Targets

TEAD4⋅Yap1 (Cell-free assay) 5.9 μM(EC50)

In vitro

TED-347 is found to inhibit the protein-protein interaction in a time-dependent manner. TED-347 is shown to functionally disrupt the TEAD·Yap1 interaction in cells and to reduce the viability of patient-derived glioblastoma cell lines.

Cell Research(from reference)

Cell lines：HEK-293 cells, GBM43 cells 

Concentrations：0.5 µM, 1.0 µM, 5.0 µM, 10 µM, 25 µM 

Incubation Time：48 h 

Specifications

同義語

Ethanone,2-​chloro-​1-​[2-​[[3-​(trifluoromethyl)​phenyl]​amino]​phenyl]​-

仕様と純度

≥98%

生化学的・生理学的メカニズム

TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction. TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.

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

≥98%

製品の性質

ALogP

4.594

HBD数

1

回転可能な結合

5

名前と識別子

パブケム・シド

504773516

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504773516

カノニカル・スマイル

C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F

IUPAC Name

2-chloro-1-[2-[3-(trifluoromethyl)anilino]phenyl]ethanone

InChIKey

JPVDFGYNLUBCSD-UHFFFAOYSA-N

INCHI

1S/C15H11ClF3NO/c16-9-14(21)12-6-1-2-7-13(12)20-11-5-3-4-10(8-11)15(17,18)19/h1-8,20H,9H2

異性体SMILES

C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F

PubChem CID

137796964

分子量

313.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Vinylogous amides Alpha-chloroketones Secondary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Trifluoromethylbenzene - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

関連ターゲット（人間）

TEAD4 Tchem Transcriptional enhancer factor TEF-3 (1 Activities)

Discover Target: TEAD4

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 69 mg/mL (219.95 mM); Ethanol: 25 mg/mL (79.69 mM); Water: ˂1 mg/mL
• DMSO（mg / mL） 最大溶解度: 69
• DMSO（mM） 最大溶解度: 219.955371373924
• 水（mg / mL） 最大溶解度: ˂1
• 分子量: 313.700 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 313.048 Da
• Monoisotopic Mass: 313.048 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 361.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2378626-29-8, the molecular formula is C15H11ClF3NO, and the molecular weight is 313.7 g/mol. InChIKey JPVDFGYNLUBCSD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.