Suplatast Tosylate - ≥97% , CAS No.94055-76-2

CAS: 94055-76-2 Cat. No.: S129238 Peso molecular: 499.64 Número EC: 692-147-8 PubChem CID: 71773

GRADE & PURITY ≥97%

Synonyms

s2015 | SMR004701701 | 94055-76-2 (tosylate) | d-p-Menth-4(8)-en-3-one | NCGC00181000-02 | Q7644399 | DTXCID7025003 | SCHEMBL29042 | 2-[4-(3-Ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyldimethylsulfonium p-Toluenesulfonate | Tosilato de suplatast [INN-Spa

Storage

Room temperature

Shipped In

Normal

Descripción general

Th2 cytokine inhibitor that attenuates IL-2, IL-5 and IL-13 production and has no effect on IFN-γ production. Acts as an immunoregulator that suppresses IgE production, eosinophil infiltration and histamine release. Shows antiasthmatic, anti-inflammatory and antifibrotic activity in vivo and is orally active.
A Th2 cytokine inhibitor,Suplatast tosylate may be used for researching immune-signaling.

Specifications

Sinónimos

s2015 | SMR004701701 | 94055-76-2 (tosylate) | d-p-Menth-4(8)-en-3-one | NCGC00181000-02 | Q7644399 | DTXCID7025003 | SCHEMBL29042 | 2-[4-(3-Ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyldimethylsulfonium p-Toluenesulfonate | Tosilato de suplatast [INN-Spa

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Th2 cytokine inhibitor that attenuates IL-2, IL-5 and IL-13 production and has no effect on IFN-γproduction. Acts as an immunoregulator that suppresses IgE production, eosinophil infiltration and histamine release. Exhibits antiasthmatic, anti-inflammator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184675
• Sonrisas canónicas: CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• IUPAC Name: [3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium;4-methylbenzenesulfonate
• InChIKey: RYVJQEZJUFRANT-UHFFFAOYSA-N
• INCHI: 1S/C16H25NO4S.C7H8O3S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,14,18H,4,9-12H2,1-3H3;2-5H,1H3,(H,8,9,10)
• Isómeros SMILES: CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• WGK Alemania: 3
• RTECS: WR7906000
• PubChem CID: 71773
• Peso molecular: 499.64
• Reaxy-Rn: 7510580

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Glycerol ethers Sulfonyls Organosulfonic acids Secondary alcohols Carbene-type 1,3-dipolar compounds Carboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Glycerol ether - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Ether - Dialkyl ether - Carboxylic acid derivative - Alcohol - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 49.96, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 49.96, Max Conc. mM: 100
• Punto de fusión (°C): 87°C(lit.)
• Peso molecular: 499.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 499.17 Da
• Monoisotopic Mass: 499.17 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 500.000
• 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: 2

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