Matairesinol - ≥98% , CAS No.580-72-3

CAS: 580-72-3 Cat. No.: M332694 Fórmula: C₂₀H₂₂O₆ Peso molecular: 358.39 Beilstein Registry Number: 7826317

GRAU & PUREZA ≥98%

Synonyms

AKOS000283004 | Matairesinol, >=85% (HPLC) | A831721 | Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-(3R,4R)-2(3H)-Furanone | ACon1_001075 | DTXCID301349397 | NCGC00169701-01 | (-)-Matairesinol | MEGxp0_001689 | SR-01000946700-1 | UNII-XLW63P8WUA | 2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Matairesinol is one of the principle lignands present in dietary fiber. Metabolized by enteric bacteria to enterolactone and enterodiol. Matairesinol displays an inverse association between serum enterolactone levels and serum isoprostane levels. This implies a protective effect against oxidative injury. Matairesinol is an inhibitor of Mdr-1.

Especificações

Sinónimos

AKOS000283004 | Matairesinol, >=85% (HPLC) | A831721 | Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-(3R,4R)-2(3H)-Furanone | ACon1_001075 | DTXCID301349397 | NCGC00169701-01 | (-)-Matairesinol | MEGxp0_001689 | SR-01000946700-1 | UNII-XLW63P8WUA | 2

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

pKa

pKa: 10.02

Nomes e identificadores

Pubchem Sid

504756810

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756810

Sorrisos canónicos

COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O

IUPAC Name

(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

InChIKey

MATGKVZWFZHCLI-LSDHHAIUSA-N

INCHI

1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1

SMILES isoméricas

COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O

WGK Alemanha

3

Peso molecular

358.39

Beilstein

7826317

Reaxy-Rn

93882

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=93882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Classe Furanoid lignans
      • Subclass Tetrahydrofuran lignans
        • Level5 9,9'-epoxylignans
          • Level6 Dibenzylbutyrolactone lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: Furanoid lignans
• Subclass: Tetrahydrofuran lignans
• Intermediate Tree Nodes: 9,9'-epoxylignans
• Direct Parent: Dibenzylbutyrolactone lignans
• Alternative Parents: Lignan lactones Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dibenzylbutyrolactone - Lignan lactone - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.
• External Descriptors: Lignans

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

Alvos associados (humanos)

SHBG Tchem Sex hormone-binding globulin (1 Activities)

Discover Target: SHBG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HL-60 (67320 Activities)

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SK-MEL-2 (46422 Activities)

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SK-OV-3 (52876 Activities)

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XF498 (12972 Activities)

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A549 (127892 Activities)

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H9 (1832 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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BL-41 (110 Activities)

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Alvos associados (não humanos)

Ttr Transthyretin (14 Activities)

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Shbg Testis-specific androgen-binding protein (10 Activities)

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pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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Aspergillus niger (16508 Activities)

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Penicillium (212 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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rhinovirus A1B (360 Activities)

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Vesicular stomatitis virus (4460 Activities)

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RAW264.7 (28094 Activities)

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BV-2 (3710 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (0.25 mg/ml) at 25° C, ethanol (2 mg/ml), DMSO (30 mg/ml), DMSO:PBS(PH7.2)(1:4) (0.25 mg/ml), and DMF (30 mg/ml).
• Sensibilidade: Moisture sensitive
• Índice de refração: n20D1.61
• Ponto de ebulição (°C): ~593.0° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 225.16° C (Predicted)
• Peso molecular: 358.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.142 Da
• Monoisotopic Mass: 358.142 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 580-72-3, the molecular formula is C20H22O6, and the molecular weight is 358.39 g/mol. InChIKey MATGKVZWFZHCLI-LSDHHAIUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.