Sal de sódio do 3-sulfato de estrona - ≥98% , CAS No.438-67-5

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

GRAU & 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

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Especificações

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

O sulfato de estrona, uma forma biologicamente inativa de estrogénio, é um dos principais estrogénios plasmáticos circulantes que é convertido no estrogénio biologicamente ativo, estrona (E1), pela sulfatase esteroide (STS). O sulfato de estrona pode ser

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504769539

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

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
    • Classe Steroids and steroid derivatives
      • Subclass Sulfated steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol (19.60 - 20.40 mg/mL).
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°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