TK216 - ≥98% , CAS No.1903783-48-1

CAS: 1903783-48-1 Cat. No.: T414474 Fórmula: C₁₉H₁₅Cl₂NO₃ Peso molecular: 376.23 PubChem CID: 121268274

GRAU & PUREZA ≥98%

Synonyms

2H-​Indol-​2-​one,4,​7-​dichloro-​3-​[2-​(4-​cyclopropylphenyl)​-​2-​oxoethyl]​-​1,​3-​dihydro-​3-​hydroxy-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

TK216 TK216 is a potent inhibitor targeting E26 transformation specific (ETS) factors via blocking the protein-protein interaction with RNA helicases. TK216 exhibits antilymphoma activity.

Targets

ETS

In vitro

TK-216 demonstrates an antitumor activity across several lymphoma cell lines. Synergistic activity is observed when TK-216 is combined with the BCL2 inhibitor venetoclax and with the immunomodulatory drug lenalidomide.

In vivo

TK-216 demonstrates an antitumor activity in vivo. TK-216 interferes with protein interactions of ETS family members SPIB, in activated B-cell–like type diffuse large B-cell lymphomas, and SPI1, in germinal center B-cell–type diffuse large B-cell lymphomas.

Cell Research(from reference)

Cell lines：ABC-DLBCL, GCB-DLBCL, MCL, MZL, CLL, primary mediastinal large B-cell lymphoma, cutaneous T-cell lymphoma, PTCL-NOS, ALCL, canine DLBCL 

Concentrations：50 nM 

Incubation Time：24 h, 48 h, 72 h 

Especificações

Sinónimos

2H-​Indol-​2-​one,4,​7-​dichloro-​3-​[2-​(4-​cyclopropylphenyl)​-​2-​oxoethyl]​-​1,​3-​dihydro-​3-​hydroxy-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

TK216 is a potent inhibitor targeting E26 transformation specific (ETS) factors via blocking the protein-protein interaction with RNA helicases. TK216 exhibits antilymphoma activity.

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.

Pureza

≥98%

Propriedades do produto

ALogP

3.785

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

504772937

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772937

Sorrisos canónicos

C1CC1C2=CC=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O

IUPAC Name

4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

InChIKey

ZWHNLSHDLKIXOG-UHFFFAOYSA-N

INCHI

1S/C19H15Cl2NO3/c20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10/h3-8,10,25H,1-2,9H2,(H,22,24)

PubChem CID

121268274

Peso molecular

376.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: 3-alkylindoles Benzoyl derivatives Aryl alkyl ketones Beta-hydroxy ketones Aryl chlorides Tertiary alcohols Cyclic carboximidic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - 3-alkylindole - Indole or derivatives - Aryl alkyl ketone - Benzoyl - Benzenoid - Beta-hydroxy ketone - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Cyclic carboximidic acid - Tertiary alcohol - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 75 mg/mL (199.34 mM); Ethanol: 50 mg/mL (132.89 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 75
• DMSO (mM) Solubilidade máxima: 199.346144645563
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 376.200 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 375.043 Da
• Monoisotopic Mass: 375.043 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 559.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 1903783-48-1, the molecular formula is C19H15Cl2NO3, and the molecular weight is 376.23 g/mol. InChIKey ZWHNLSHDLKIXOG-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.