(R)-Equol - Moligand™,≥98% , CAS No.221054-79-1

CAS: 221054-79-1 Cat. No.: R347296 Peso molecular: 242.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

STK801893 | R-Equol | AKOS004120071 | BBL026747 | DTXSID101318590 | EQUOL (R)-FORM [MI] | EX-A1353 | MFCD09025608 | (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol | 2V8RAP1HXA | (3R)-3-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-7-OL | Isoequol |

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

(R)-Equol is a non-steroidal estrogen produced from the metabolism of the isoflavonoid phytoestrogen daidzein by human intestinal microflora. It is a chiral molecule that exists in two enantiomeric forms. In contrast to the estrogen receptor selectivity of (S)-equol , (R)-equol is a weaker ER agonist that binds to ERα and ERβ with K|i|values of 27.4 and 15.4 nM, respectively. The (R)-enantiomer demonstrates higher ER agonist activity at ERα compared to ERβ.

Specifications

Sinónimos

STK801893 | R-Equol | AKOS004120071 | BBL026747 | DTXSID101318590 | EQUOL (R)-FORM [MI] | EX-A1353 | MFCD09025608 | (3R)-3-(4-hydroxyphenyl)-3, 4-dihydro-2H-chromen-7-ol | 2V8RAP1HXA | (3R)-3-(4-HYDROXYPHENYL)-3, 4-DIHYDRO-2H-1-BENZOPYRAN-7-OL | Isoequol |

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
• IUPAC Name: (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
• InChIKey: ADFCQWZHKCXPAJ-LBPRGKRZSA-N
• INCHI: 1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1
• Isómeros SMILES: C1[C@@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
• Peso molecular: 242.27
• Reaxy-Rn: 87753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87753&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass Isoflavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Isoflavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavanols
• Alternative Parents: Hydroxyisoflavonoids 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyisoflavonoid - Isoflavanol - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
• External Descriptors: Not available

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (~20 mg/ml), DMSO (~20 mg/ml), DMF (~10 mg/ml), and ethanol : PBS (1:10, pH 7.2) (~0.1 mg/ml).
• Sensibilidad: light sensitive
• Índice de refracción: n20D1.65 (Predicted)
• Peso molecular: 242.270 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.094 Da
• Monoisotopic Mass: 242.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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