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

CAS: 438-67-5 Cat. No.: E342933 Summenformel: C₁₈H₂₁O₅SNa Molekulargewicht: 372.41 EG-Nummer: 207-120-4

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504769539

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Steroids and steroid derivatives
      • Subclass Sulfated steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol (19.60 - 20.40 mg/mL).
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 230-233° C
• Molekulargewicht: 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