Quercetagetin - ≥98% , CAS No.90-18-6

CAS: 90-18-6 Cat. No.: Q342038 Summenformel: C₁₅H₁₀O₈ Molekulargewicht: 318.23 PubChem CID: 5281680

GRADE & PURITY ≥98%

Synonyms

2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone | Quercetagenin | SV68G507VO | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- | 3,3'4,5,6,7-hexOH-Flavone | MYU | A843465 | CHEBI:8695 | DTXCID30160469 | ZVOLCUVKHLEPEV-UHFFF

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Quercetagetin is a cell-permeable flavanol compound that acts a potent, ATP-competitive, and reversible inhibitor of PIM1 kinase (IC50 = 340 nM). Exhibits ≥7-fold selectivity over 8 other kinases tested, including PIM2 (IC50 = 3.45 μM), and little activity toward c-Abl even at concentrations as high as 200 μM. Inhibits cellular BAD phosphorylation (IC50 = 5.5 μM) and induces growth arrest (ED50 = 3.8 μM) in PIM1-expressing RWPE2 cells.

Specifications

Synonyme

2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone | Quercetagenin | SV68G507VO | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- | 3,3'4,5,6,7-hexOH-Flavone | MYU | A843465 | CHEBI:8695 | DTXCID30160469 | ZVOLCUVKHLEPEV-UHFFF

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Produkteigenschaften

pKa

pKₐ: 6.12 (Predicted)

Namen und Kennungen

Pubchem Sid

488195242

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195242

Kanonisches Lächeln

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O

IUPAC Name

2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one

InChIKey

ZVOLCUVKHLEPEV-UHFFFAOYSA-N

INCHI

1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H

Isomere SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O

PubChem CID

5281680

Molekulargewicht

318.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids Chromones Catechols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-hydroxyflavone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 6-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• External Descriptors: Flavones and Flavonols

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)

AMY1A Salivary alpha-amylase (100 Activities)

Discover Target: AMY1A

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

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

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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

Monocyte (474 Activities)

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CD38 Tclin Lymphocyte differentiation antigen CD38 (364 Activities)

Discover Target: CD38

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

NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

Discover Target: NFKB2

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

Zugehörige Ziele (nicht menschlich)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

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

Human immunodeficiency virus 1 (70413 Activities)

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

Avian myoblastosis virus polyprotein II (68 Activities)

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

Mapk8 Mitogen-activated protein kinase 8 (32 Activities)

Discover Target: Mapk8

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

Cdk5 Cell division protein kinase 5 (15 Activities)

Discover Target: Cdk5

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

SYN1 Synapsin-1 (3 Activities)

Discover Target: SYN1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO.
• Empfindlichkeit: Light sensitive
• Brechungsindex: n20D1.86 (Predicted)
• Siedepunkt (°C): ~732.4° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 252.31° C (Predicted)
• Molekulargewicht: 318.230 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 318.038 Da
• Monoisotopic Mass: 318.038 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 518.000
• 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