MCR 1 - ≥96% , CAS No.339163-65-4

CAS: 339163-65-4 Cat. No.: R288511 Fórmula: C₂₀H₁₂N₂OS₄ Peso molecular: 424.58 PubChem CID: 4273985

CALIDAD & PUREZA ≥96%

Synonyms

2-[[2-Oxo-2-(2-thienyl)ethyl]thio]-4,6-di-2-thienyl-3-pyridinecarbonitrile|RCM-1|2-{[2-Oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile,Robert Costa Memorial drug-1|2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-4,6-di(thiophen-2-yl)nicotinonitrile

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Especificaciones

Sinónimos

2-[[2-Oxo-2-(2-thienyl)ethyl]thio]-4,6-di-2-thienyl-3-pyridinecarbonitrile | RCM-1 | 2-{[2-Oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile,Robert Costa Memorial drug-1 | 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-4,6-di(thiophen-2-yl)nicotinonitrile

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

Inhibidor del factor de transcripción Forkhead box M1 (FOXM1) (IC50= 0,72 μM). Inhibe la expresión de los genes diana de FOXM1. Induce la degradación de la proteína FOXM1 in vitro. Reduce la resistencia de las vías respiratorias, aumenta la distensibilida

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

504762941

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762941

Sonrisas canónicas

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CS3)C4=CC=CS4

IUPAC Name

2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile

InChIKey

DCCYTKKDAZEVLY-UHFFFAOYSA-N

INCHI

1S/C20H12N2OS4/c21-11-14-13(17-4-1-7-24-17)10-15(18-5-2-8-25-18)22-20(14)27-12-16(23)19-6-3-9-26-19/h1-10H,12H2

Isómeros SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CS3)C4=CC=CS4

PubChem CID

4273985

Peso molecular

424.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Aryl alkyl ketones 3-pyridinecarbonitriles Alkylarylthioethers Thiophenes Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - 3-pyridinecarbonitrile - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Pyridine - Thiophene - Heteroaromatic compound - Ketone - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 8.49, Max Conc. mM: 20
• Peso molecular: 424.600 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 423.983 Da
• Monoisotopic Mass: 423.983 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 580.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% 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 339163-65-4, the molecular formula is C20H12N2OS4, and the molecular weight is 424.58 g/mol. InChIKey DCCYTKKDAZEVLY-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.