RCM 1 - ≥96% , CAS No.339163-65-4

CAS: 339163-65-4 Cat. No.: R288511 分子式: C₂₀H₁₂N₂OS₄ 分子量: 424.58 PubChem CID: 4273985

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥96%

生化学的・生理学的メカニズム

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

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。

純度

≥96%

名前と識別子

パブケム・シド

504762941

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

4273985

分子量

424.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 8.49, Max Conc. mM: 20
• 分子量: 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

よくある質問

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.