Estrone 3-sulfate sodium salt - ≥98% , CAS No.438-67-5

CAS: 438-67-5 Cat. No.: E342933 Fórmula: C₁₈H₂₁O₅SNa Peso molecular: 372.41 Número EC: 207-120-4

CALIDAD & PUREZA ≥98%

Synonyms

1,3,5(10)-ESTRATRIEN-3-OL-17-ONE SULPHATE, SODIUM SALT | ESTRONE SODIUM SULFATE [VANDF] | HMS2232J23 | SMR000058772 | Estrone 3-sulfate sodium salt | Estrone sulfate sodium | Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, sodium salt | Etoposide; VP-16 | Es

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

1,3,5(10)-ESTRATRIEN-3-OL-17-ONE SULPHATE, SODIUM SALT | ESTRONE SODIUM SULFATE [VANDF] | HMS2232J23 | SMR000058772 | Estrone 3-sulfate sodium salt | Estrone sulfate sodium | Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, sodium salt | Etoposide; VP-16 | Es

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Estrone sulfate, a biologically inactive form of estrogen, is a major circulating plasma estrogen that is converted into the biologically active estrogen, estrone (E1) by steroid sulfatase (STS). strone sulfate can be used for the research of breast cance

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504769539

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769539

Sonrisas canónicas

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate

InChIKey

VUCAHVBMSFIGAI-ZFINNJDLSA-M

INCHI

1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1

Isómeros SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]

WGK Alemania

3

Peso molecular

372.41

Reaxy-Rn

51949012

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51949012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Sulfated steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Sulfated steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfated steroids
• Alternative Parents: Estrane steroids 17-oxosteroids Phenanthrenes and derivatives Tetralins Arylsulfates Sulfuric acid monoesters Ketones Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Sulfated steroid skeleton - Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - Arylsulfate - Tetralin - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Ketone - Organic alkali metal salt - Carbonyl group - Organic salt - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.
• External Descriptors: organic sodium salt - steroid sulfate

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 (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol (19.60 - 20.40 mg/mL).
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 230-233° C
• Peso molecular: 372.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.101 Da
• Monoisotopic Mass: 372.101 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 630.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 2

XLogP3