3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate

Modify Date: 2025-09-22 17:17:02

3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate Structure
3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate structure
Common Name 3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate
CAS Number 481-97-0 Molecular Weight 349.42100
Density N/A Boiling Point N/A
Molecular Formula C18H21O5S- Melting Point N/A
MSDS N/A Flash Point N/A

 Use of 3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate


Estrone sulfate is an endogenous metabolite present in Blood that can be used for the research of X-Linked Ichthyosis and Obesity[1][2][3].

 Names

Name estrone 3-sulfate
Synonym More Synonyms

  Biological Activity

Description Estrone sulfate is an endogenous metabolite present in Blood that can be used for the research of X-Linked Ichthyosis and Obesity[1][2][3].
Related Catalog
Target

Human Endogenous Metabolite

In Vitro Endogenous metabolites is defined as those that are annotated by Kyoto Encyclopedia of Genes and Genomes as substrates or products of the ~1900 metabolic enzymes encoded in our genome. It is clear in the body of literature that there are documented toxic properties for many of these metabolites[1].
References

[1]. Lee N, et al. Endogenous toxic metabolites and implications in cancer therapy. Oncogene. 2020 Aug;39(35):5709-5720.  

[2]. Lykkesfeldt G, et al. Abnormal androgen and oestrogen metabolism in men with steroid sulphatase deficiency and recessive X-linked ichthyosis. Clin Endocrinol (Oxf). 1985 Oct;23(4):385-93.  

[3]. Brind J, et al. Obese men have elevated plasma levels of estrone sulfate. Int J Obes. 1990 Jun;14(6):483-6.  

 Chemical & Physical Properties

Molecular Formula C18H21O5S-
Molecular Weight 349.42100
Exact Mass 349.11100
PSA 91.88000
LogP 4.03160
InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
SMILES CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O
Storage condition -20°C

 Precursor & DownStream

Precursor  0

DownStream  1

 Bioassay

View more

Name: TP_TRANSPORTER: uptake in BCRP-expressing LLC-PK1 cells
Source: ChEMBL
Target: Broad substrate specificity ATP-binding cassette transporter ABCG2
External Id: CHEMBL2075585
Name: Apparent permeability from apical to basolateral side of vector transfected human Cac...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3539198
Name: Apparent permeability from basolateral to apical side of vector transfected human Cac...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3539199
Name: Inhibition of VGLUT-mediated [3H]-L-Glu uptake into synaptic vesicles in rat brain
Source: ChEMBL
Target: N/A
External Id: CHEMBL3119491
Name: TP_TRANSPORTER: cell accumulation in OATP2-expressing HEK293 cells
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1B1
External Id: CHEMBL2076471
Name: TP_TRANSPORTER: uptake (pH 7.4) of Estrone-3-sulfate at a concentration of 5.43 nM in...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 2B1
External Id: CHEMBL2077200
Name: Inhibition of VGLUT in rat brain assessed as [3H]-L-Glu uptake into synaptic vesicles...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3119492
Name: TP_TRANSPORTER: uptake in OATP-D-expressing HEK293 cells
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 3A1
External Id: CHEMBL2076477
Name: Drug uptake in mouse Astrocyte cells expressing OATPIC4/5/6 at 100 uM incubated for 3...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5392421
Name: TP_TRANSPORTER: inhibition of Ochratoxin A uptake (OTA: 1 uM, E1S: 100uM) in Xenopus ...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1A1
External Id: CHEMBL2076391
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 Synonyms

estrone-3-sulfate
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