ESI 05 - ≥98%(HPLC) , CAS No.5184-64-5

CAS: 5184-64-5 Cat. No.: E288894 Summenformel: C₁₆H₁₈O₂S Molekulargewicht: 274.38

GRADE & PURITY ≥98%(HPLC)

Synonyms

BDBM50425555 | mesityl (4-methylphenyl) sulfone | NSC 116966 | 1,3,5-Trimethyl-2-tosylbenzene | 1,3,5-trimethyl-2-(4-methylphenyl)sulfonylbenzene | 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfonyl]benzene | 1,3,5-trimethyl-2-(p-tolylsulfonyl)benzene | MS-23902

Storage

Room temperature

Shipped In

Normal

Übersicht

Anwendung

ESI-05 wurde verwendet, um die Wirkung des direkt durch cAMP 2 aktivierten Proteinaustauschs bei traumatischen Hirnverletzungen zu untersuchen.

Specifications

Synonyme

BDBM50425555 | mesityl (4-methylphenyl) sulfone | NSC 116966 | 1,3,5-Trimethyl-2-tosylbenzene | 1,3,5-trimethyl-2-(4-methylphenyl)sulfonylbenzene | 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfonyl]benzene | 1,3,5-trimethyl-2-(p-tolylsulfonyl)benzene | MS-23902

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

EPAC2-Hemmstoff. Hemmt die cAMP-Bindung an EPAC2 und die cAMP-vermittelte Aktivität des EPAC2-Guanin-Nukleotid-Austauschfaktors (GEF) (IC50= 0,4 μM).

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504758254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758254
• Kanonisches Lächeln: CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C)C)C
• IUPAC Name: 1,3,5-trimethyl-2-(4-methylphenyl)sulfonylbenzene
• InChIKey: CGPHOZWFSFNOEQ-UHFFFAOYSA-N
• INCHI: 1S/C16H18O2S/c1-11-5-7-15(8-6-11)19(17,18)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
• Isomere SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C)C)C
• Molekulargewicht: 274.38
• Reaxy-Rn: 2216684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Tosyl compounds
• Alternative Parents: Benzenesulfonyl compounds Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tosyl compound - Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
• 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

Zugehörige Ziele (menschlich)

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (2 Activities)

Discover Target: RAPGEF4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

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

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

Discover Target: RAPGEF4

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

Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 27.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.44, Max Conc. mM: 100
• Molekulargewicht: 274.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.103 Da
• Monoisotopic Mass: 274.103 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 375.000
• 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