4',5,7-trimethoxyflavone - Moligand™,≥98% , CAS No.5631-70-9

CAS: 5631-70-9 Cat. No.: T358915 Formula: C₁₈H₁₆O₅ Peso molecolare: 312.32 Numero EC: 802-250-3 PubChem CID: 79730

GRADE & PURITY Moligand™, ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™,≥98%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755412
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755412
• Sorrisi canonici: 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
• Isomeri SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
• PubChem CID: 79730
• Peso molecolare: 312.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 506.5±50.0℃ at 760 mmHg
• Punto di fusione (°C): 158-160℃
• Peso molecolare: 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

Riferimenti

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]