β-Estradiol 17-hemisuccinate - ≥98% , CAS No.7698-93-3

CAS: 7698-93-3 Cat. No.: E355442 Summenformel: C₂₂H₂₈O₅ Molekulargewicht: 372.46 EG-Nummer: 636-022-8

GRADE & PURITY ≥98%

Synonyms

Estradiol 17 beta-hemisuccinate | ESTRADIOL HEMISUCCINATE | EX-A4652 | HMS2235C22 | beta-Estradiol-17-beta-hemisuccinate | beta-Estradiol-17beta-hemisuccinate | D07919 | SMR000058687 | Q24884541 | 17BETA-ESTRADIOL 17-HEMISUCCINATE | UNII-VQV5064VG6 | 1,3,

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Product Application:

beta-Estradiol 17-hemisuccinate is useful for preparing noncovalently surface-тАЛmodified carbon dots that selectively targets and stains estrogen receptor (ER)тАЛ-тАЛrich cancer cells.

Specifications

Synonyme

Estradiol 17 beta-hemisuccinate | ESTRADIOL HEMISUCCINATE | EX-A4652 | HMS2235C22 | beta-Estradiol-17-beta-hemisuccinate | beta-Estradiol-17beta-hemisuccinate | D07919 | SMR000058687 | Q24884541 | 17BETA-ESTRADIOL 17-HEMISUCCINATE | UNII-VQV5064VG6 | 1,3,

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754071
• Kanonisches Lächeln: CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• IUPAC Name: 4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
• InChIKey: YJPIDPAGJSWWBE-FNIAAEIWSA-N
• INCHI: 1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
• Isomere SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
• Molekulargewicht: 372.46
• Reaxy-Rn: 3009215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3009215&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Estrogens and derivatives 3-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Steroid ester - Estrogen-skeleton - 3-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• 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

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Discover Target: HIF1A

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly), THF (Slightly)
• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 372.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 372.194 Da
• Monoisotopic Mass: 372.194 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 589.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

Häufig gestellte Fragen

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.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 7698-93-3, the molecular formula is C22H28O5, and the molecular weight is 372.46 g/mol. InChIKey YJPIDPAGJSWWBE-FNIAAEIWSA-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.