RCM 1 - ≥96% , CAS No.339163-65-4

CAS: 339163-65-4 Cat. No.: R288511 Formula: C₂₀H₁₂N₂OS₄ Molecular Weight: 424.58 PubChem CID: 4273985

GRADE & PURITY ≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Forkhead box M1 (FOXM1) transcription factor inhibitor (IC50= 0.72 μM). Inhibits expression of FOXM1 target genes. Induces FOXM1 protein degradationin vitro. Reduces airway resistance, increases lung compliance and decreases proinflammatory cytokine produ

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.

Purity

≥96%

Names and Identifiers

Pubchem Sid

504762941

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

PubChem CID

4273985

Molecular Weight

424.58

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 8.49, Max Conc. mM: 20
• Molecular Weight: 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

Frequently Asked Questions

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.