ST638 , CAS No.107761-24-0

CAS: 107761-24-0 Cat. No.: S338595 Formule: C₁₉H₁₈N₂O₃S Poids moléculaire: 354.42 Numéro CE: 634-605-1 PubChem CID: 5276

Synonyms

Q27164644 | (Z)-2-cyano-3-(3-ethoxy-4-hydroxy-5-(phenylthiomethyl)phenyl)acrylamide | DTXSID701147014 | 2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]- | alpha-Cyano-(3-ethoxy-4-hydroxy-5-phenylthiomethyl)cinnamide | 2-cyano-3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

ST638 is a protein tyrosine kinase inhibitor (IC|50|= 370 nM) that also inhibits HGF-induced MAP kinase activation in hepatocytes. ST638 has also shown to inhibit PC-PLD (phospholipase D) activity in human neutrophils. This product decreases the O2? production induced by pervanadate in neutrophils.

Specifications

Synonymes

Q27164644 | (Z)-2-cyano-3-(3-ethoxy-4-hydroxy-5-(phenylthiomethyl)phenyl)acrylamide | DTXSID701147014 | 2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]- | alpha-Cyano-(3-ethoxy-4-hydroxy-5-phenylthiomethyl)cinnamide | 2-cyano-3-

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

• pKa: pKa: 9.06

Noms et identifiants

• Sourires canoniques: CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N
• IUPAC Name: 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
• InChIKey: YKLMGKWXBLSKPK-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)
• Isomères SMILES: CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N
• WGK Allemagne: 3
• RTECS: UC6316200
• PubChem CID: 5276
• Poids moléculaire: 354.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Thiophenol ethers Phenoxy compounds Phenols Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Nitriles Carboximidic acids Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Ether - Carboximidic acid derivative - Carboximidic acid - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMF, and DMSO (19 mg/ml).
• Indice de réfraction: n20D1.66
• Point d'ébullition (°C): 611.24° C at 760 mmHg
• Point de fusion (°C): 134-135.5° C
• Poids moléculaire: 354.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 354.104 Da
• Monoisotopic Mass: 354.104 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 522.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

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 107761-24-0, the molecular formula is C19H18N2O3S, and the molecular weight is 354.42 g/mol. InChIKey YKLMGKWXBLSKPK-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.