Dehydroisoandrosterone 3-acetate - Moligand™,≥98% , CAS No.853-23-6

CAS: 853-23-6 Cat. No.: D102175 Formula: C₂₁H₃₀O₃ Peso molecolare: 330.46 Numero EC: 212-714-1

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

[(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] acetate | trans-Dehydroandrosterone acetate | SKF 2847 | 3-beta-Hydroxyandrost-5-en-17-one acetate | 3beta-Hydroxyandrost-5-en-17-one acet

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

[(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] acetate | trans-Dehydroandrosterone acetate | SKF 2847 | 3-beta-Hydroxyandrost-5-en-17-one acetate | 3beta-Hydroxyandrost-5-en-17-one acet

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Dehydroepiandrosterone 3-acetate is a testosterone/estrogen precursor and known modulator of vertebrate aggression.

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182012

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182012

Sorrisi canonici

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C

IUPAC Name

[(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] acetate

InChIKey

NCMZQTLCXHGLOK-ZKHIMWLXSA-N

INCHI

1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

Isomeri SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C

WGK Germania

3

RTECS

BV8396810

CAS alternativo

1239-31-2

Peso molecolare

330.46

Reaxy-Rn

2061580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061580&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Androstane steroids 17-oxosteroids Delta-5-steroids Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Steroid ester - Androstane-skeleton - Oxosteroid - 17-oxosteroid - Delta-5-steroid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descrizione: 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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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Obiettivi associati (non umani)

Saccharomyces cerevisiae (19171 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 168-170°C
• Peso molecolare: 330.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 330.219 Da
• Monoisotopic Mass: 330.219 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 606.000
• 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: 1