5,7-Dimethoxyflavone - Moligand™,≥98% , CAS No.21392-57-4

CAS: 21392-57-4 Cat. No.: D412858 分子式: C₁₇H₁₄O₄ 分子量: 282.29 EC番号: 979-686-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID50175656 | MB00258 | NSC741743 | NSC-741743 | Chrysin DME | EC-000.1540 | MEGxp0_001682 | Spectrum5_001712 | KBioSS_000844 | BSPBio_002847 | J8HQQ4R4F2 | MLS001049094 | STK921429 | SR-01000758978 | UNII-J8HQQ4R4F2 | Oprea1_482940 | 5,7-Dimethoxy-2-p

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

DTXSID50175656 | MB00258 | NSC741743 | NSC-741743 | Chrysin DME | EC-000.1540 | MEGxp0_001682 | Spectrum5_001712 | KBioSS_000844 | BSPBio_002847 | J8HQQ4R4F2 | MLS001049094 | STK921429 | SR-01000758978 | UNII-J8HQQ4R4F2 | Oprea1_482940 | 5,7-Dimethoxy-2-p

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

5,7-Dimethoxyflavone (5,7-DMF) is an inhibitor of cytochrome P450 (CYP) 3As, which can significantly reduce the expression of CYP3A11 and CYP3A25 in the liver. 5,7-Dimethoxyflavone (5,7-DMF) is also a potent inhibitor of Breast Cancer Resistance Protein (

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 504755964
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755964
• カノニカル・スマイル: COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
• IUPAC Name: 5,7-dimethoxy-2-phenylchromen-4-one
• InChIKey: JRFZSUMZAUHNSL-UHFFFAOYSA-N
• INCHI: 1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
• 異性体SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3
• 分子量: 282.29
• Reaxy-Rn: 285983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=285983&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: 5-O-methylated flavonoids Flavones Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous ester - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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SGC-7901 (2773 Activities)

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WISH (126 Activities)

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HepG2 (196354 Activities)

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A2780 (11979 Activities)

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KB (17409 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

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Liver (3974 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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NR0B1 Tbio Nuclear receptor subfamily 0 group B member 1 (493 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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NCI-H187 (598 Activities)

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関連ターゲット（非人間）

Staphylococcus aureus (210822 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 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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Luciferin 4-monooxygenase (66902 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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ureB Urease subunit alpha/Urease subunit beta (701 Activities)

Discover Target: ureB

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 100 mg/mL (354.24 mM)
• 感度: Light sensitive
• 分子量: 282.290 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.089 Da
• Monoisotopic Mass: 282.089 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 411.000
• 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

参考文献

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]