6-Methylcoumarin - 10mM in DMSO , CAS No.92-48-8

CAS: 92-48-8 Cat. No.: M426944 Summenformel: C₁₀H₈O₂ Molekulargewicht: 160.17 Beilstein Registry Number: 17337 EG-Nummer: 202-158-8

GRADE & PURITY 10mM in DMSO

Synonyms

6-Methyl-2H-1-benzopyran-2-one | 6-Methylbenzopyrone | CHEBI:563586 | Tox21_201810 | 6-Methyl-1,2-benzopyrone | 6-methyl-chromen-2-one | 6-methylchromen-2-one | AKOS015899609 | 6-Methyl coumarin | 6-Methylcoumarin, analytical standard | 6-Methylcoumarinic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

6-Methyl-2H-1-benzopyran-2-one | 6-Methylbenzopyrone | CHEBI:563586 | Tox21_201810 | 6-Methyl-1,2-benzopyrone | 6-methyl-chromen-2-one | 6-methylchromen-2-one | AKOS015899609 | 6-Methyl coumarin | 6-Methylcoumarin, analytical standard | 6-Methylcoumarinic

Spezifikationen & Reinheit

10mM in DMSO

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: 528762501
• Kanonisches Lächeln: CC1=CC2=C(C=C1)OC(=O)C=C2
• IUPAC Name: 6-methylchromen-2-one
• InChIKey: FXFYOPQLGGEACP-UHFFFAOYSA-N
• INCHI: 1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
• Isomere SMILES: CC1=CC2=C(C=C1)OC(=O)C=C2
• WGK Deutschland: 3
• RTECS: GN7792000
• Molekulargewicht: 160.17
• Beilstein: 17337
• Reaxy-Rn: 4222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - 1-benzopyran - Benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• External Descriptors: coumarins

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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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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HepG2 (196354 Activities)

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Lymphoblastoid cell (5959 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 200°C/19mmHg
• Schmelzpunkt (°C): 74.0-78.0℃
• Molekulargewicht: 160.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052 Da
• Monoisotopic Mass: 160.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 220.000
• 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. Huanan Wang, Wenqing Xu.  (2017)  Mito-methyl coumarin, a novel mitochondria-targeted drug with great antitumor potential was synthesized.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:28546001] [10.1016/j.bbrc.2017.05.116]

2. Huanan Wang, Ming Yao, Wenqing Xu.  (2016)  The antitumor effects of mitochondria-targeted 6-(nicotinamide) methyl coumarin.  Open Life Sciences,  11  (1): (542-551).  [PMID:] [10.1515/biol-2016-0070]