4',5,7-TRIMETHOXYFLAVONE - 10mM in DMSO , CAS No.5631-70-9

CAS: 5631-70-9 Cat. No.: T424769 Summenformel: C₁₈H₁₆O₅ Molekulargewicht: 312.32 EG-Nummer: 802-250-3 PubChem CID: 79730

GRADE & PURITY 10mM in DMSO

Synonyms

4H-1-Benzenopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)- | 5,7,4'-rimethoxyflavone | A830998 | KBioGR_002516 | 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile | BRD-K68806283-001-02-8 | Oprea1_073610 | Trimethylapogamin | 5,7,4'-Tri

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

4H-1-Benzenopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)- | 5,7,4'-rimethoxyflavone | A830998 | KBioGR_002516 | 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile | BRD-K68806283-001-02-8 | Oprea1_073610 | Trimethylapogamin | 5,7,4'-Tri

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

K V 1.5 and K V 11.1 (hERG) channel blocker (IC 50 values are 8 and 30 μM for KV1.5 and hERG respectively). CFTR channel blocker. Putative anti-atrial fibrillation agent. Active in vivo.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

ACTIVATOR

Namen und Kennungen

• Pubchem Sid: 528759333
• Kanonisches Lächeln: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
• IUPAC Name: 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
• InChIKey: ZXJJBDHPUHUUHD-UHFFFAOYSA-N
• INCHI: 1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
• Isomere SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
• PubChem CID: 79730
• Molekulargewicht: 312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: 5-O-methylated flavonoids 4'-O-methylated flavonoids Flavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous ester - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• 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

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KB (17409 Activities)

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Liver (3974 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Aspergillus niger (16508 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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3T3-L1 (3664 Activities)

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RAW264.7 (28094 Activities)

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Vero (26788 Activities)

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Avian myoblastosis virus polyprotein II (68 Activities)

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Brain (1 Activities)

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Lung (9 Activities)

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Kidney (1278 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 506.5±50.0℃ at 760 mmHg
• Schmelzpunkt (°C): 158-160℃
• Molekulargewicht: 312.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.1 Da
• Monoisotopic Mass: 312.1 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 452.000
• 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

Referenzen

1. Yi Wu, Ying He, Huiqing Luo, Tingting Jin, Feng He.  (2023)  AIEE-Active Flavones as a Promising Tool for the Real-Time Tracking of Uptake and Distribution in Live Zebrafish.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (12): (10183).  [PMID:37373329] [10.3390/ijms241210183]