Dehydroepiandrosterone

HCID 5881CAS 53-43-0

Grundinformationen

Standard-SMILES
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
FMGSKLZLMKYGDP-USOAJAOKSA-N
Summenformel
C19H28O2
Durchschnittliche Molmasse
288,4 g/mol
Monoisotopische Masse
288,20893014

Überblick

Dehydroepiandrosterone is an androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. It has a role as an androgen, a mouse metabolite and a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 17-oxo steroid and an androstanoid.

Namen und Bezeichner

Bevorzugter Name
Dehydroepiandrosterone
IUPAC
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Namen und Synonyme

DehydroepiandrosteroneDHEAPRASTERONE53-43-0DehydroisoandrosteroneAndrostenoloneDiandron3beta-hydroxyandrost-5-en-17-one17-HormoforinIntrarosaPrasterona3-beta-Hydroxy-5-androsten-17-one
Weitere Namen anzeigen
PrasteronumVaginorm5,6-DehydroisoandrosteroneBiolaifEM-760DTXSID4020379NSC-9896Androst-5-en-17-one, 3-hydroxy-, (3beta)-

Datenbank-Bezeichner

CAS
53-43-0
PubChem CID
5881
DTXSID
DTXSID4020379
ChEMBL
CHEMBL90593
ChEBI
CHEBI:28689
UNII
459AG36T1B
EC Number
200-175-5
Nikkaji
J4.147E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

DEA NFLIS-Drug Category -> Steroids

Pharmaceuticals -> Listed in ZINC15

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
LogP · 2 Einträge

3.23

3.23

Solubility0.0635 mg/mL
Dietary Ingredients · 2 Einträge

Dehydroepiandrosterone (DHEA)

DHEA

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (11.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 159 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13358

Dehydroisoandosterone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Androst-5-en-17-one, 3-hydroxy-, (3.beta.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (11.3%)

Toxikologische Informationen

Drug Induced Liver Injury · 4 Einträge

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Dehydroepiandrosterone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 4 Einträge

A - Alimentary tract and metabolism

G - Genito urinary system and sex hormones

QA - Alimentary tract and metabolism

QG - Genito urinary system and sex hormones

Pharmacodynamics · 1 Eintrag

DHEA is naturally produced from cholesterol through two cytochrome P450 enzymes. Cholesterol is converted to pregnenolone by the enzyme P450 scc (side chain cleavage); then another enzyme, CYP17A1, converts pregnenolone to 17α-Hydroxypregnenolone and then to DHEA. DHEA is increased by exercise and calorie restriction. Some theorize that the increase in endogenous DHEA brought about by calorie restriction is partially responsible for the longer life expectancy known to be associated with calorie restriction.

Mechanism of Action · 1 Eintrag

DHEA can be understood as a prohormone for the sex steroids. DHEAS may be viewed as buffer and reservoir. As most DHEA is produced by the zona reticularis of the adrenal cortex, it is argued that there is a role in the immune and stress response. DHEAS/DHEA are useful to detect excess adrenal activity as seen in adrenal cancer or hyperplasia, including certain forms of congenital adrenal hyperplasia as it is produced nearly entirely by the adrenal glands. Women with polycystic ovary syndrome tend to have elevated levels of DHEAS.

Biological Half-Life12 hours
Metabolism/Metabolites · 2 Einträge

Hepatic. As shown by their high conversion ratios (in a study involving cynomolgus monkeys), the major circulating metabolites of DHEA are DHEA-S, androsterone glucuronide, and androstane-3 alpha,17 beta-diol-glucuronide. [PMID: 12970301]

Dehydroisoandrosterone has known human metabolites that include Dehydroisoandrosterone 3-glucuronide, 3,7-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, and 3,16-Dihydroxyandrost-5-en-17-one.

MeSH Pharmacological Classification · 1 Eintrag

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Verwendung und Herstellung

UsesUse (kg; approx.) in Germany (2009): >75
Use ClassificationPharmaceuticals

Zugehörige Reaktionen

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