(-)-TK216 - Moligand™,≥98% , CAS No.1903783-78-7

CAS: 1903783-78-7 Cat. No.: T647888 Fórmula: C₁₉H₁₅Cl₂NO₃ Peso molecular: 376.23 PubChem CID: 121268274

GRADE & PURITY Moligand™, ≥98%

Synonyms

4,7-dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

(-)-TK216 is an enantiomer of TK216 . TK216 is an orally active and potent E26 transformation specific (ETS) inhibitor. (-)-TK216 has anti-cancer activity.

In Vitro

(-)-TK216 (compound 14; for 3 days) has an IC 50 <5 μM in SKES cells (Ewing Sarcoma cell line). (-)-TK216 has T 1/2 s of 27.7 mins, 2.8 mins, 23.1 mins and 40.8 mins for human, rat, mouse, dog liver microsomes. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

(-)-TK216 (compound 14; 5 mg/kg for iv or 25 mg/kg for po) has T 1/2 s of 0.8 hours and 3.1 hours, and AUCs of 4131 h•(ng/mL) and 13152 h•(ng/mL) for iv and po, respectively, in BALB/c mice or Sprague Dawley rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

4,7-dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

(-)-TK216 is an enantiomer of TK216 . TK216 is an active and potent E26 transformation specific (ETS) inhibitor. (-)-TK216 has anti-cancer activity.(-)-TK216 (compound 14; for 3 days) has an IC 50 <5 μM in SKES cells (Ewing Sarcoma cell line). (-)-TK216 h

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• 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: DMSO : 100 mg/mL (265.79 mM; Need ultrasonic)
• 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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 1903783-78-7, 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.