Yangonin - ≥98% , CAS No.500-62-9

CAS: 500-62-9 Cat. No.: Y276449 Peso molecular: 258.27 Número EC: 686-154-5 PubChem CID: 5281575

GRADE & PURITY ≥98%

Synonyms

CCG-208617 | YANGONINA [MI] | 4-Metoxi-6-[(E)-2-(4-metoxifenil)etenil]-2H-piran-2-ona | 4-metoxi-6-[2-(4-metoxifenil)etenil]piran-2-ona | NCGC00260096-01 | SR-05000002174-2 | 2H-Piran-2-ona, 4-metoxi-6-(2-(4-metoxifenil)etenil)-, (E)- | 4-Meto

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Almacenar a -20°C. Almacenar en condiciones de desecación. El producto puede almacenarse hasta 12 meses.

Specifications

Sinónimos

CCG-208617 | YANGONINA [MI] | 4-Metoxi-6-[(E)-2-(4-metoxifenil)etenil]-2H-piran-2-ona | 4-metoxi-6-[2-(4-metoxifenil)etenil]piran-2-ona | NCGC00260096-01 | SR-05000002174-2 | 2H-Piran-2-ona, 4-metoxi-6-(2-(4-metoxifenil)etenil)-, (E)- | 4-Meto

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Potente inhibidor del NF-κβ. Agonista CB 1 selectivo. (Los valores K i son 0, 7 y 10 μM para CB 1 y CB 2 respectivamente). Muestra potentes efectos antioxidantes. Activo in vivo.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763360
• Sonrisas canónicas: COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC
• IUPAC Name: 4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
• InChIKey: XLHIYUYCSMZCCC-VMPITWQZSA-N
• INCHI: 1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
• Isómeros SMILES: COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC
• PubChem CID: 5281575
• Peso molecular: 258.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Kavalactones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Kavalactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Kavalactones
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Kavalactone - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous ester - Heteroaromatic compound - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as kavalactones. These are lactones, which is structurally characterized by a benzene ring and a pyranone moiety, linked to each other to form a 4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one skeleton.
• External Descriptors: alpha-Pyrones

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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 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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CASP1 Tchem Caspase-1 (6235 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Objetivos asociados (no humanos)

Echinochloa crus-galli (3685 Activities)

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Fusarium solani (1274 Activities)

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Fusarium oxysporum (3998 Activities)

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Trichoderma viride (1263 Activities)

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PC-12 (7051 Activities)

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Lactuca sativa (1092 Activities)

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BCHE Cholinesterase (8742 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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

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PA Polymerase acidic protein (806 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (with heating)
• Sensibilidad: Light sensitive
• Peso molecular: 258.269 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1