Hydroxytyrosol - 10mM in DMSO , CAS No.10597-60-1

CAS: 10597-60-1 Cat. No.: H420486 Summenformel: C₈H₁₀O₃ Molekulargewicht: 154.16 Beilstein Registry Number: 2208118 EG-Nummer: 600-704-3

GRADE & PURITY 10mM in DMSO

Synonyms

dopet | HY-N0570 | AM20020163 | HYDROXYTYROSOL [INCI] | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl- | 3,4-dihydroxy-1-benzeneethanol | 4-(2-Hydroxy-ethyl)-benzene-1,2-diol | 4-(2-hydroxyethyl)benzene-1,2-diol | NSC-758468 | QEU0

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

dopet | HY-N0570 | AM20020163 | HYDROXYTYROSOL [INCI] | (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl- | 3,4-dihydroxy-1-benzeneethanol | 4-(2-Hydroxy-ethyl)-benzene-1,2-diol | 4-(2-hydroxyethyl)benzene-1,2-diol | NSC-758468 | QEU0

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Antioxidant agent. 5- and 12-lipoxygenase inhibitor (IC 50 values are 13 and 4.2 μM, respectively). Shows anti-inflammatory and antioxidant effects in vivo. Orally active.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

Pubchem Sid

528774723

Kanonisches Lächeln

C1=CC(=C(C=C1CCO)O)O

IUPAC Name

4-(2-hydroxyethyl)benzene-1,2-diol

InChIKey

JUUBCHWRXWPFFH-UHFFFAOYSA-N

INCHI

1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

Isomere SMILES

C1=CC(=C(C=C1CCO)O)O

WGK Deutschland

3

Molekulargewicht

154.16

Beilstein

2208118

Reaxy-Rn

2208118

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols
• Alternative Parents: Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosol - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tyrosols. These are organic aromatic compounds containing a phenethyl alcohol moiety that carries a hydroxyl group at the 4-position of the benzene group.
• External Descriptors: catechols - primary alcohol

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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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HT-29 (80576 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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SH-SY5Y (11521 Activities)

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SK-BR-3 (5175 Activities)

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SW480 (6023 Activities)

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HeLa (62764 Activities)

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DG-75 (165 Activities)

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NA Neuraminidase (1107 Activities)

Discover Target: NA

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Salmonella enterica (1497 Activities)

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MDCK (10148 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.58
• Molekulargewicht: 154.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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