Dehydroepiandrosterone

HCID 5881CAS 53-43-0

Basic information

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
Molecular formula
C19H28O2
Average molar mass
288.4 g/mol
Monoisotopic mass
288.20893014

Overview

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.

Names & identifiers

Preferred 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

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
21

Experimental & physicochemical properties

Drugs · 2 items

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 items

3.23

3.23

Solubility0.0635 mg/mL
Dietary Ingredients · 2 items

Dehydroepiandrosterone (DHEA)

DHEA

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Toxicology

Drug Induced Liver Injury · 4 items

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Dehydroepiandrosterone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Chemistry & industry

Pharmacology

ATC Code · 4 items

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 item

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 item

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 items

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 item

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.

Uses & manufacturing

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

Related reactions

92 records

Linked notes

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