K 114 - ≥98%(HPLC) , CAS No.872201-12-2

CAS: 872201-12-2 Cat. No.: K286853 Summenformel: C₂₂H₁₇BrO₂ Molekulargewicht: 393.27 EG-Nummer: 635-846-5

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

CHEBI:78674 | SCHEMBL6374804 | DSSTox_GSID_25071 | SCHEMBL15093090 | (trans,trans)-1-bromo-2,5-bis-(4-hydroxy)styrylbenzene | 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol | Q27147905 | XJB20112 | K 114 | CHEBI:125501 | SR-0100

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

CHEBI:78674 | SCHEMBL6374804 | DSSTox_GSID_25071 | SCHEMBL15093090 | (trans,trans)-1-bromo-2,5-bis-(4-hydroxy)styrylbenzene | 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol | Q27147905 | XJB20112 | K 114 | CHEBI:125501 | SR-0100

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potent amyloid fibril-specific fluorescent dye (EC50= 20 - 30 nM). Exhibits minimal fluorescence in aqueous buffers and fluoresces brightly in the presence of Aβ,α-synuclein and tauin situ. (Optimum wavelength = 550 nm).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

528765025

Kanonisches Lächeln

C1=CC(=CC=C1C=CC2=CC(=C(C=C2)C=CC3=CC=C(C=C3)O)Br)O

IUPAC Name

4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol

InChIKey

OXPHQQMZTXMEGO-RJTULKDBSA-N

INCHI

1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+

Isomere SMILES

C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)O)Br)O

Molekulargewicht

393.27

Reaxy-Rn

29846785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29846785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: organobromine compound - polyphenol

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)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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SH-SY5Y (11521 Activities)

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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Zugehörige Ziele (nicht menschlich)

Saccharomyces cerevisiae (19171 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 39.33, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 19.66, Max Conc. mM: 50
• Molekulargewicht: 393.300 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 392.041 Da
• Monoisotopic Mass: 392.041 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1