dehydroepiandrosterone sulfate sodium salt - Moligand™,≥99% , CAS No.1099-87-2

CAS: 1099-87-2 Cat. No.: D130222 Peso molecular: 390.47 Número EC: 214-152-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

SCHEMBL606953 | sodium 17-oxoandrost-5-en-3beta-yl sulphate | PRASTERONE SODIUM SULFATE [WHO-DD] | Sodium (3beta)-androst-5-en-17-one 3-sulphate | AKOS037646560 | Dehydroepiandrosterone-3-sulfate Sodium Salt | Sodium prasterone sulfate [JAN] | Androst-5-e

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SCHEMBL606953 | sodium 17-oxoandrost-5-en-3beta-yl sulphate | PRASTERONE SODIUM SULFATE [WHO-DD] | Sodium (3beta)-androst-5-en-17-one 3-sulphate | AKOS037646560 | Dehydroepiandrosterone-3-sulfate Sodium Salt | Sodium prasterone sulfate [JAN] | Androst-5-e

Especificaciones y pureza

Moligand™, ≥99%

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.

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504769555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769555
• Sonrisas canónicas: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C.[Na+]
• IUPAC Name: sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
• InChIKey: GFJWACFSUSFUOG-ZJTJBYBXSA-M
• INCHI: 1S/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15-,16-,18-,19-;/m0./s1
• Isómeros SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C.[Na+]
• CAS alternativo: 78590-17-7
• Peso molecular: 390.47
• Reaxy-Rn: 45508515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45508515&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: Androstane steroids 17-oxosteroids Delta-5-steroids Sulfuric acid monoesters Alkyl sulfates Ketones Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sulfated steroid skeleton - Androstane-skeleton - 17-oxosteroid - Oxosteroid - Delta-5-steroid - Sulfuric acid monoester - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Organic sulfuric acid or derivatives - Ketone - Organic alkali metal salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Aliphatic 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: 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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMF: 30 mg/ml；DMSO: 30 mg/ml；DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml；Ethanol: 2 mg/ml
• Sensibilidad: moisture sensitive
• Peso molecular: 390.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 390.148 Da
• Monoisotopic Mass: 390.148 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 727.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Referencias

1. Shuo Qi, Xiaoze Dong, Yuhan Sun, Yin Zhang, Nuo Duan, Zhouping Wang.  (2022)  Split aptamer remodeling-initiated target-self-service 3D-DNA walker for ultrasensitive detection of 17β-estradiol.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35872451] [10.1016/j.jhazmat.2022.129590]