β-Estradiol 3-(β-D-glucuronide) sodium salt - Moligand™, ≥98% , CAS No.14982-12-8

CAS: 14982-12-8 Cat. No.: E337920 Formula: C₂₄H₃₁O₈•Na Peso molecolare: 470.49 Numero EC: 633-965-7 PubChem CID: 16219308

GRADE & PURITY Moligand™, ≥98%

Synonyms

beta -Estradiol 3-( beta -D-glucuronide) sodium salt | PUBCHEM_16219308 | beta-Estradiol 3-(beta-D-glucuronide) sodium salt | 3,17beta-Dihydroxy-1,3,5(10)-estratriene 3-glucuronide | 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-GLUCURONIDE SODIUM SALT | DTXSID00

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

β-Estradiol 3-(β-D-glucuronide) sodium salt has been used in estrogen administration. It has also been used to determine the amount of two types of glucuronidated estradiols such as estradiol-3- α glucuronide and estradiol-17- β glucuronide.

Estradiol 3-(β-D-Glucuronide) sodium is the glucuronic acid derivative of estradiol. Estradiol 3-(β-D-Glucuronide) sodium is radiolabeled for use in tumor imaging and biodistribution studies.

Specifications

Sinonimi

beta -Estradiol 3-( beta -D-glucuronide) sodium salt | PUBCHEM_16219308 | beta-Estradiol 3-(beta-D-glucuronide) sodium salt | 3,17beta-Dihydroxy-1,3,5(10)-estratriene 3-glucuronide | 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-GLUCURONIDE SODIUM SALT | DTXSID00

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504768393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768393
• Sorrisi canonici: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O.[Na]
• InChIKey: QAAKKUWGHXAGFU-UHFFFAOYSA-N
• INCHI: 1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)
• Isomeri SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O.[Na]
• PubChem CID: 16219308
• Peso molecolare: 470.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid glucuronide conjugates
• Alternative Parents: 17-hydroxysteroids Estrane steroids Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Phenanthrenes and derivatives Alkyl glycosides O-glycosyl compounds Tetralins Beta hydroxy acids and derivatives Oxanes Monosaccharides Pyrans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Organic alkali metal salts Monocarboxylic acids and derivatives Acetals Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Steroid-glucuronide-skeleton - Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Phenanthrene - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Tetralin - Beta-hydroxy acid - Pyran - Benzenoid - Oxane - Hydroxy acid - Monosaccharide - Fatty acyl - Cyclic alcohol - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic alkali metal salt - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid 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

Proprietà chimiche e fisiche

• Solubilità: DMF: 10 mg/ml；DMSO: 20 mg/ml；DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
• Peso molecolare: 471.500 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 471.199 Da
• Monoisotopic Mass: 471.199 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 716.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 10
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Riferimenti

1. Yi Rong, Nanxi Li, Xuan Qiao, Lei Yang, Peng Han, Zhiyun Meng, Hui Gan, Zhuona Wu, Xiaoxia Zhu, Yunbo Sun, Shuchen Liu, Guifang Dou, Ruolan Gu.  (2024)  Icaritin exhibits potential drug–drug interactions through the inhibition of human UDP-glucuronosyltransferase in vitro.  BIOPHARMACEUTICS & DRUG DISPOSITION,  45  (3): (149-158).  [PMID:38886878] [10.1002/bdd.2397]

Domande frequenti

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 14982-12-8, the molecular formula is C24H31O8?Na, and the molecular weight is 470.49 g/mol. InChIKey QAAKKUWGHXAGFU-UHFFFAOYSA-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.